@mat3ra/esse 2025.5.16-0 → 2025.5.16-1

package/dist/js/types.d.ts

@@ -2889,10 +2889,7 @@ export interface AllUnitsDefinitions {
 }
 /** Schema dist/js/schema/element.json */
 export interface ElementSchema {
-    /**
-     * Element symbol.
-     */
-    symbol?: string;
+    symbol?: "H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og";
     /**
      * list of elemental properties
      */
@@ -2909,6 +2906,10 @@ export interface ElementSchema {
         value: number;
     })[];
 }
+/** Schema dist/js/schema/enums/chemical_elements.json */
+export interface ChemicalElementSymbols {
+    [k: string]: unknown;
+}
 /** Schema dist/js/schema/in_memory_entity/base.json */
 export interface BaseInMemoryEntitySchema {
     /**
@@ -6195,9 +6196,9 @@ export interface SlabSelectorParametersSchema {
      */
     termination?: {
         /**
-         * Chemical elements at the termination
+         * Chemical elements at the termination. Can be a single element (e.g. 'Si') or a compound (e.g. 'SiO')
          */
-        chemical_elements: string;
+        chemical_elements: (("H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og") | string) & string;
         /**
          * Space group symmetry designation for the termination
          */
@@ -6238,8 +6239,8 @@ export interface MaterialConventionalSchema {
  * @maxItems 3
  */
 export type CrystalRepetitionsSchema = [number, number, number];
-/** Schema dist/js/schema/material/reusable/slab/enums.json */
-export type SurfaceTypesEnum = "top" | "bottom" | "both";
+/** Schema dist/js/schema/material/reusable/slab/enums/exposed_face.json */
+export type SlabExposedFaceEnum = "top" | "bottom" | "both";
 /** Schema dist/js/schema/material/reusable/slab/miller_indices.json */
 /**
  * Miller indices for crystallographic plane designation
@@ -6259,9 +6260,9 @@ export type NumberOfLayersSchema = number;
  */
 export interface TerminationSchema {
     /**
-     * Chemical elements at the termination
+     * Chemical elements at the termination. Can be a single element (e.g. 'Si') or a compound (e.g. 'SiO')
      */
-    chemical_elements: string;
+    chemical_elements: (("H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og") | string) & string;
     /**
      * Space group symmetry designation for the termination
      */
@@ -6271,7 +6272,7 @@ export interface TerminationSchema {
 /**
  * Vacuum thickness in Angstroms
  */
-export type VacuumSchema = number;
+export type VacuumThicknessSchema = number;
 /** Schema dist/js/schema/material/reusable/supercell_matrix_2d.json */
 /**
  * Supercell matrix for xy plane transformations
@@ -6304,246 +6305,791 @@ export interface MaterialSchema {
          */
         elements: {
             /**
-             * value of this entry
+             * All elements, including extra elements
+             */
+            value: (("H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og") | ("X" | "Vac")) & string;
+            /**
+             * integer id of this entry
+             */
+            id: number;
+        }[];
+        /**
+         * atomic coordinates schema
+         */
+        coordinates: {
+            /**
+             * value of this entry
+             *
+             * @minItems 3
+             * @maxItems 3
+             */
+            value: [number, number, number];
+            /**
+             * integer id of this entry
+             */
+            id: number;
+        }[];
+        units?: "crystal" | "cartesian";
+        /**
+         * atomic labels schema
+         */
+        labels?: {
+            /**
+             * value of this entry
+             */
+            value: (number | string | number) | number;
+            /**
+             * integer id of this entry
+             */
+            id: number;
+        }[];
+    };
+    lattice: {
+        /**
+         * length of the first lattice vector
+         */
+        a: number;
+        /**
+         * length of the second lattice vector
+         */
+        b: number;
+        /**
+         * length of the third lattice vector
+         */
+        c: number;
+        /**
+         * angle between first and second lattice vector
+         */
+        alpha: number;
+        /**
+         * angle between second and third lattice vector
+         */
+        beta: number;
+        /**
+         * angle between first and third lattice vector
+         */
+        gamma: number;
+        vectors?: {
+            /**
+             * @minItems 3
+             * @maxItems 3
+             */
+            a: [number, number, number];
+            /**
+             * @minItems 3
+             * @maxItems 3
+             */
+            b: [number, number, number];
+            /**
+             * @minItems 3
+             * @maxItems 3
+             */
+            c: [number, number, number];
+            /**
+             * lattice parameter for fractional coordinates
+             */
+            alat?: number;
+            units?: "angstrom" | "bohr";
+        };
+        type?: "CUB" | "BCC" | "FCC" | "TET" | "MCL" | "ORC" | "ORCC" | "ORCF" | "ORCI" | "HEX" | "BCT" | "TRI" | "MCLC" | "RHL";
+        units?: {
+            length?: "angstrom" | "bohr";
+            angle?: "degree" | "radian";
+        };
+    };
+    derivedProperties?: ({
+        name?: "volume";
+        units?: "angstrom^3";
+        value: number;
+    } | {
+        name?: "density";
+        units?: "g/cm^3";
+        value: number;
+    } | {
+        /**
+         * point group symbol in Schoenflies notation
+         */
+        pointGroupSymbol?: string;
+        /**
+         * space group symbol in Hermann–Mauguin notation
+         */
+        spaceGroupSymbol?: string;
+        /**
+         * tolerance used for symmetry calculation
+         */
+        tolerance?: {
+            units?: "angstrom";
+            value: number;
+        };
+        name?: "symmetry";
+    } | {
+        name?: "elemental_ratio";
+        value: number;
+        /**
+         * the element this ratio is for
+         */
+        element?: string;
+    } | {
+        name?: "p-norm";
+        /**
+         * degree of the dimensionality of the norm
+         */
+        degree?: number;
+        value: number;
+    } | {
+        name?: "inchi";
+        value: string;
+    } | {
+        name?: "inchi_key";
+        value: string;
+    })[];
+    /**
+     * information about a database source
+     */
+    external?: {
+        /**
+         * ID string for the materials uploaded from a third party source inside the third party source. For materialsproject.org an example ID is mp-32
+         */
+        id: string | number;
+        /**
+         * Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
+         */
+        source: string;
+        /**
+         * Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
+         */
+        origin: boolean;
+        /**
+         * Original response from external source.
+         */
+        data?: {};
+        /**
+         * Digital Object Identifier, e.g. 10.1088/0953-8984/25/10/105506
+         */
+        doi?: string;
+        /**
+         * The URL of the original record, e.g. https://next-gen.materialsproject.org/materials/mp-48; ToDo: update to use URI type per https://json-schema.org/understanding-json-schema/reference/string#resource-identifiers
+         */
+        url?: string;
+    };
+    /**
+     * file source with the information inside
+     */
+    src?: {
+        /**
+         * file extension
+         */
+        extension?: string;
+        /**
+         * file name without extension
+         */
+        filename: string;
+        /**
+         * file content as raw text
+         */
+        text: string;
+        /**
+         * MD5 hash based on file content
+         */
+        hash: string;
+    };
+    /**
+     * Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).
+     */
+    scaledHash?: string;
+    /**
+     * Corresponding ICSD id of the material
+     */
+    icsdId?: number;
+    /**
+     * Whether to work in the finite molecular picture (usually with atomic orbital basis)
+     */
+    isNonPeriodic?: boolean;
+    consistencyChecks?: {
+        /**
+         * Name of the consistency check that is performed, which is listed in an enum.
+         */
+        name: "default" | "atomsTooClose" | "atomsOverlap";
+        /**
+         * Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
+         */
+        key: string;
+        /**
+         * Severity level of the problem, which is used in UI to differentiate.
+         */
+        severity: "info" | "warning" | "error";
+        /**
+         * Message generated by the consistency check describing the problem.
+         */
+        message: string;
+    }[];
+    /**
+     * entity identity
+     */
+    _id?: string;
+    /**
+     * entity slug
+     */
+    slug?: string;
+    systemName?: string;
+    /**
+     * entity's schema version. Used to distinct between different schemas.
+     */
+    schemaVersion?: string;
+    /**
+     * entity name
+     */
+    name?: string;
+    /**
+     * Identifies that entity is defaultable
+     */
+    isDefault?: boolean;
+    metadata?: {};
+}
+/** Schema dist/js/schema/materials_category/defects/configuration.json */
+/**
+ * Base configuration for all defect types
+ */
+export interface BaseDefectConfigurationSchema {
+    host: {
+        /**
+         * reduced chemical formula
+         */
+        formula?: string;
+        /**
+         * chemical formula based on the number of atoms of each element in the supercell
+         */
+        unitCellFormula?: string;
+        basis: {
+            /**
+             * atomic elements schema
+             */
+            elements: {
+                /**
+                 * All elements, including extra elements
+                 */
+                value: (("H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og") | ("X" | "Vac")) & string;
+                /**
+                 * integer id of this entry
+                 */
+                id: number;
+            }[];
+            /**
+             * atomic coordinates schema
+             */
+            coordinates: {
+                /**
+                 * value of this entry
+                 *
+                 * @minItems 3
+                 * @maxItems 3
+                 */
+                value: [number, number, number];
+                /**
+                 * integer id of this entry
+                 */
+                id: number;
+            }[];
+            units?: "crystal" | "cartesian";
+            /**
+             * atomic labels schema
+             */
+            labels?: {
+                /**
+                 * value of this entry
+                 */
+                value: (number | string | number) | number;
+                /**
+                 * integer id of this entry
+                 */
+                id: number;
+            }[];
+        };
+        lattice: {
+            /**
+             * length of the first lattice vector
+             */
+            a: number;
+            /**
+             * length of the second lattice vector
+             */
+            b: number;
+            /**
+             * length of the third lattice vector
+             */
+            c: number;
+            /**
+             * angle between first and second lattice vector
+             */
+            alpha: number;
+            /**
+             * angle between second and third lattice vector
+             */
+            beta: number;
+            /**
+             * angle between first and third lattice vector
+             */
+            gamma: number;
+            vectors?: {
+                /**
+                 * @minItems 3
+                 * @maxItems 3
+                 */
+                a: [number, number, number];
+                /**
+                 * @minItems 3
+                 * @maxItems 3
+                 */
+                b: [number, number, number];
+                /**
+                 * @minItems 3
+                 * @maxItems 3
+                 */
+                c: [number, number, number];
+                /**
+                 * lattice parameter for fractional coordinates
+                 */
+                alat?: number;
+                units?: "angstrom" | "bohr";
+            };
+            type?: "CUB" | "BCC" | "FCC" | "TET" | "MCL" | "ORC" | "ORCC" | "ORCF" | "ORCI" | "HEX" | "BCT" | "TRI" | "MCLC" | "RHL";
+            units?: {
+                length?: "angstrom" | "bohr";
+                angle?: "degree" | "radian";
+            };
+        };
+        derivedProperties?: ({
+            name?: "volume";
+            units?: "angstrom^3";
+            value: number;
+        } | {
+            name?: "density";
+            units?: "g/cm^3";
+            value: number;
+        } | {
+            /**
+             * point group symbol in Schoenflies notation
+             */
+            pointGroupSymbol?: string;
+            /**
+             * space group symbol in Hermann–Mauguin notation
+             */
+            spaceGroupSymbol?: string;
+            /**
+             * tolerance used for symmetry calculation
+             */
+            tolerance?: {
+                units?: "angstrom";
+                value: number;
+            };
+            name?: "symmetry";
+        } | {
+            name?: "elemental_ratio";
+            value: number;
+            /**
+             * the element this ratio is for
+             */
+            element?: string;
+        } | {
+            name?: "p-norm";
+            /**
+             * degree of the dimensionality of the norm
+             */
+            degree?: number;
+            value: number;
+        } | {
+            name?: "inchi";
+            value: string;
+        } | {
+            name?: "inchi_key";
+            value: string;
+        })[];
+        /**
+         * information about a database source
+         */
+        external?: {
+            /**
+             * ID string for the materials uploaded from a third party source inside the third party source. For materialsproject.org an example ID is mp-32
+             */
+            id: string | number;
+            /**
+             * Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
+             */
+            source: string;
+            /**
+             * Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
+             */
+            origin: boolean;
+            /**
+             * Original response from external source.
+             */
+            data?: {};
+            /**
+             * Digital Object Identifier, e.g. 10.1088/0953-8984/25/10/105506
+             */
+            doi?: string;
+            /**
+             * The URL of the original record, e.g. https://next-gen.materialsproject.org/materials/mp-48; ToDo: update to use URI type per https://json-schema.org/understanding-json-schema/reference/string#resource-identifiers
+             */
+            url?: string;
+        };
+        /**
+         * file source with the information inside
+         */
+        src?: {
+            /**
+             * file extension
+             */
+            extension?: string;
+            /**
+             * file name without extension
+             */
+            filename: string;
+            /**
+             * file content as raw text
+             */
+            text: string;
+            /**
+             * MD5 hash based on file content
+             */
+            hash: string;
+        };
+        /**
+         * Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).
+         */
+        scaledHash?: string;
+        /**
+         * Corresponding ICSD id of the material
+         */
+        icsdId?: number;
+        /**
+         * Whether to work in the finite molecular picture (usually with atomic orbital basis)
+         */
+        isNonPeriodic?: boolean;
+        consistencyChecks?: {
+            /**
+             * Name of the consistency check that is performed, which is listed in an enum.
+             */
+            name: "default" | "atomsTooClose" | "atomsOverlap";
+            /**
+             * Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
+             */
+            key: string;
+            /**
+             * Severity level of the problem, which is used in UI to differentiate.
+             */
+            severity: "info" | "warning" | "error";
+            /**
+             * Message generated by the consistency check describing the problem.
+             */
+            message: string;
+        }[];
+        /**
+         * entity identity
+         */
+        _id?: string;
+        /**
+         * entity slug
+         */
+        slug?: string;
+        systemName?: string;
+        /**
+         * entity's schema version. Used to distinct between different schemas.
+         */
+        schemaVersion?: string;
+        /**
+         * entity name
+         */
+        name?: string;
+        /**
+         * Identifies that entity is defaultable
+         */
+        isDefault?: boolean;
+        metadata?: {};
+    };
+    /**
+     * Whether the defect is external to the host material
+     */
+    isExternal?: boolean;
+}
+/** Schema dist/js/schema/materials_category/defects/enums/point_defect_type.json */
+export type PointDefectTypeEnum = "vacancy" | "substitution" | "interstitial";
+/** Schema dist/js/schema/materials_category/defects/zero_dimensional/point/configuration.json */
+/**
+ * Configuration for point defects that require a crystal reference
+ */
+export interface PointDefectConfigurationSchema {
+    type?: "vacancy" | "substitution" | "interstitial";
+    /**
+     * @minItems 3
+     * @maxItems 3
+     */
+    coordinate?: [number, number, number];
+    chemical_element?: "H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og";
+    /**
+     * Whether coordinates are in cartesian rather than fractional coordinates
+     */
+    use_cartesian_coordinates?: boolean;
+    host: {
+        /**
+         * reduced chemical formula
+         */
+        formula?: string;
+        /**
+         * chemical formula based on the number of atoms of each element in the supercell
+         */
+        unitCellFormula?: string;
+        basis: {
+            /**
+             * atomic elements schema
+             */
+            elements: {
+                /**
+                 * All elements, including extra elements
+                 */
+                value: (("H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og") | ("X" | "Vac")) & string;
+                /**
+                 * integer id of this entry
+                 */
+                id: number;
+            }[];
+            /**
+             * atomic coordinates schema
+             */
+            coordinates: {
+                /**
+                 * value of this entry
+                 *
+                 * @minItems 3
+                 * @maxItems 3
+                 */
+                value: [number, number, number];
+                /**
+                 * integer id of this entry
+                 */
+                id: number;
+            }[];
+            units?: "crystal" | "cartesian";
+            /**
+             * atomic labels schema
+             */
+            labels?: {
+                /**
+                 * value of this entry
+                 */
+                value: (number | string | number) | number;
+                /**
+                 * integer id of this entry
+                 */
+                id: number;
+            }[];
+        };
+        lattice: {
+            /**
+             * length of the first lattice vector
+             */
+            a: number;
+            /**
+             * length of the second lattice vector
+             */
+            b: number;
+            /**
+             * length of the third lattice vector
+             */
+            c: number;
+            /**
+             * angle between first and second lattice vector
+             */
+            alpha: number;
+            /**
+             * angle between second and third lattice vector
+             */
+            beta: number;
+            /**
+             * angle between first and third lattice vector
+             */
+            gamma: number;
+            vectors?: {
+                /**
+                 * @minItems 3
+                 * @maxItems 3
+                 */
+                a: [number, number, number];
+                /**
+                 * @minItems 3
+                 * @maxItems 3
+                 */
+                b: [number, number, number];
+                /**
+                 * @minItems 3
+                 * @maxItems 3
+                 */
+                c: [number, number, number];
+                /**
+                 * lattice parameter for fractional coordinates
+                 */
+                alat?: number;
+                units?: "angstrom" | "bohr";
+            };
+            type?: "CUB" | "BCC" | "FCC" | "TET" | "MCL" | "ORC" | "ORCC" | "ORCF" | "ORCI" | "HEX" | "BCT" | "TRI" | "MCLC" | "RHL";
+            units?: {
+                length?: "angstrom" | "bohr";
+                angle?: "degree" | "radian";
+            };
+        };
+        derivedProperties?: ({
+            name?: "volume";
+            units?: "angstrom^3";
+            value: number;
+        } | {
+            name?: "density";
+            units?: "g/cm^3";
+            value: number;
+        } | {
+            /**
+             * point group symbol in Schoenflies notation
+             */
+            pointGroupSymbol?: string;
+            /**
+             * space group symbol in Hermann–Mauguin notation
+             */
+            spaceGroupSymbol?: string;
+            /**
+             * tolerance used for symmetry calculation
+             */
+            tolerance?: {
+                units?: "angstrom";
+                value: number;
+            };
+            name?: "symmetry";
+        } | {
+            name?: "elemental_ratio";
+            value: number;
+            /**
+             * the element this ratio is for
+             */
+            element?: string;
+        } | {
+            name?: "p-norm";
+            /**
+             * degree of the dimensionality of the norm
+             */
+            degree?: number;
+            value: number;
+        } | {
+            name?: "inchi";
+            value: string;
+        } | {
+            name?: "inchi_key";
+            value: string;
+        })[];
+        /**
+         * information about a database source
+         */
+        external?: {
+            /**
+             * ID string for the materials uploaded from a third party source inside the third party source. For materialsproject.org an example ID is mp-32
+             */
+            id: string | number;
+            /**
+             * Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
+             */
+            source: string;
+            /**
+             * Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
+             */
+            origin: boolean;
+            /**
+             * Original response from external source.
              */
-            value: string;
+            data?: {};
             /**
-             * integer id of this entry
+             * Digital Object Identifier, e.g. 10.1088/0953-8984/25/10/105506
              */
-            id: number;
-        }[];
+            doi?: string;
+            /**
+             * The URL of the original record, e.g. https://next-gen.materialsproject.org/materials/mp-48; ToDo: update to use URI type per https://json-schema.org/understanding-json-schema/reference/string#resource-identifiers
+             */
+            url?: string;
+        };
         /**
-         * atomic coordinates schema
+         * file source with the information inside
          */
-        coordinates: {
+        src?: {
             /**
-             * value of this entry
-             *
-             * @minItems 3
-             * @maxItems 3
+             * file extension
              */
-            value: [number, number, number];
+            extension?: string;
             /**
-             * integer id of this entry
+             * file name without extension
              */
-            id: number;
-        }[];
-        units?: "crystal" | "cartesian";
-        /**
-         * atomic labels schema
-         */
-        labels?: {
+            filename: string;
             /**
-             * value of this entry
+             * file content as raw text
              */
-            value: (number | string | number) | number;
+            text: string;
             /**
-             * integer id of this entry
+             * MD5 hash based on file content
              */
-            id: number;
-        }[];
-    };
-    lattice: {
-        /**
-         * length of the first lattice vector
-         */
-        a: number;
-        /**
-         * length of the second lattice vector
-         */
-        b: number;
-        /**
-         * length of the third lattice vector
-         */
-        c: number;
+            hash: string;
+        };
         /**
-         * angle between first and second lattice vector
+         * Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).
          */
-        alpha: number;
+        scaledHash?: string;
         /**
-         * angle between second and third lattice vector
+         * Corresponding ICSD id of the material
          */
-        beta: number;
+        icsdId?: number;
         /**
-         * angle between first and third lattice vector
+         * Whether to work in the finite molecular picture (usually with atomic orbital basis)
          */
-        gamma: number;
-        vectors?: {
+        isNonPeriodic?: boolean;
+        consistencyChecks?: {
             /**
-             * @minItems 3
-             * @maxItems 3
+             * Name of the consistency check that is performed, which is listed in an enum.
              */
-            a: [number, number, number];
+            name: "default" | "atomsTooClose" | "atomsOverlap";
             /**
-             * @minItems 3
-             * @maxItems 3
+             * Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
              */
-            b: [number, number, number];
+            key: string;
             /**
-             * @minItems 3
-             * @maxItems 3
+             * Severity level of the problem, which is used in UI to differentiate.
              */
-            c: [number, number, number];
+            severity: "info" | "warning" | "error";
             /**
-             * lattice parameter for fractional coordinates
+             * Message generated by the consistency check describing the problem.
              */
-            alat?: number;
-            units?: "angstrom" | "bohr";
-        };
-        type?: "CUB" | "BCC" | "FCC" | "TET" | "MCL" | "ORC" | "ORCC" | "ORCF" | "ORCI" | "HEX" | "BCT" | "TRI" | "MCLC" | "RHL";
-        units?: {
-            length?: "angstrom" | "bohr";
-            angle?: "degree" | "radian";
-        };
-    };
-    derivedProperties?: ({
-        name?: "volume";
-        units?: "angstrom^3";
-        value: number;
-    } | {
-        name?: "density";
-        units?: "g/cm^3";
-        value: number;
-    } | {
-        /**
-         * point group symbol in Schoenflies notation
-         */
-        pointGroupSymbol?: string;
-        /**
-         * space group symbol in Hermann–Mauguin notation
-         */
-        spaceGroupSymbol?: string;
-        /**
-         * tolerance used for symmetry calculation
-         */
-        tolerance?: {
-            units?: "angstrom";
-            value: number;
-        };
-        name?: "symmetry";
-    } | {
-        name?: "elemental_ratio";
-        value: number;
-        /**
-         * the element this ratio is for
-         */
-        element?: string;
-    } | {
-        name?: "p-norm";
-        /**
-         * degree of the dimensionality of the norm
-         */
-        degree?: number;
-        value: number;
-    } | {
-        name?: "inchi";
-        value: string;
-    } | {
-        name?: "inchi_key";
-        value: string;
-    })[];
-    /**
-     * information about a database source
-     */
-    external?: {
-        /**
-         * ID string for the materials uploaded from a third party source inside the third party source. For materialsproject.org an example ID is mp-32
-         */
-        id: string | number;
-        /**
-         * Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
-         */
-        source: string;
-        /**
-         * Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
-         */
-        origin: boolean;
-        /**
-         * Original response from external source.
-         */
-        data?: {};
-        /**
-         * Digital Object Identifier, e.g. 10.1088/0953-8984/25/10/105506
-         */
-        doi?: string;
+            message: string;
+        }[];
         /**
-         * The URL of the original record, e.g. https://next-gen.materialsproject.org/materials/mp-48; ToDo: update to use URI type per https://json-schema.org/understanding-json-schema/reference/string#resource-identifiers
+         * entity identity
          */
-        url?: string;
-    };
-    /**
-     * file source with the information inside
-     */
-    src?: {
+        _id?: string;
         /**
-         * file extension
+         * entity slug
          */
-        extension?: string;
+        slug?: string;
+        systemName?: string;
         /**
-         * file name without extension
+         * entity's schema version. Used to distinct between different schemas.
          */
-        filename: string;
+        schemaVersion?: string;
         /**
-         * file content as raw text
+         * entity name
          */
-        text: string;
+        name?: string;
         /**
-         * MD5 hash based on file content
+         * Identifies that entity is defaultable
          */
-        hash: string;
+        isDefault?: boolean;
+        metadata?: {};
     };
     /**
-     * Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).
-     */
-    scaledHash?: string;
-    /**
-     * Corresponding ICSD id of the material
-     */
-    icsdId?: number;
-    /**
-     * Whether to work in the finite molecular picture (usually with atomic orbital basis)
-     */
-    isNonPeriodic?: boolean;
-    consistencyChecks?: {
-        /**
-         * Name of the consistency check that is performed, which is listed in an enum.
-         */
-        name: "default" | "atomsTooClose" | "atomsOverlap";
-        /**
-         * Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-         */
-        key: string;
-        /**
-         * Severity level of the problem, which is used in UI to differentiate.
-         */
-        severity: "info" | "warning" | "error";
-        /**
-         * Message generated by the consistency check describing the problem.
-         */
-        message: string;
-    }[];
-    /**
-     * entity identity
-     */
-    _id?: string;
-    /**
-     * entity slug
-     */
-    slug?: string;
-    systemName?: string;
-    /**
-     * entity's schema version. Used to distinct between different schemas.
-     */
-    schemaVersion?: string;
-    /**
-     * entity name
-     */
-    name?: string;
-    /**
-     * Identifies that entity is defaultable
+     * Whether the defect is external to the host material
      */
-    isDefault?: boolean;
-    metadata?: {};
+    isExternal?: boolean;
 }
 /** Schema dist/js/schema/materials_category/single_material/two_dimensional/slab/configuration.json */
 /**
@@ -6565,9 +7111,9 @@ export interface SlabConfigurationSchema {
              */
             elements: {
                 /**
-                 * value of this entry
+                 * All elements, including extra elements
                  */
-                value: string;
+                value: (("H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og") | ("X" | "Vac")) & string;
                 /**
                  * integer id of this entry
                  */
@@ -16869,9 +17415,9 @@ export type AtomicCoordinatesSchema = {
  */
 export interface AtomicElementSchema {
     /**
-     * value of this entry
+     * All elements, including extra elements
      */
-    value: string;
+    value: (("H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og") | ("X" | "Vac")) & string;
     /**
      * integer id of this entry
      */
@@ -16883,9 +17429,9 @@ export interface AtomicElementSchema {
  */
 export type AtomicElementsSchema = {
     /**
-     * value of this entry
+     * All elements, including extra elements
      */
-    value: string;
+    value: (("H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og") | ("X" | "Vac")) & string;
     /**
      * integer id of this entry
      */
@@ -16952,9 +17498,9 @@ export interface BasisSchema {
      */
     elements: {
         /**
-         * value of this entry
+         * All elements, including extra elements
          */
-        value: string;
+        value: (("H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og") | ("X" | "Vac")) & string;
         /**
          * integer id of this entry
          */