@mat3ra/esse 2026.5.18-2 → 2026.5.27-0

package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json

@@ -250,9 +250,36 @@
                             "type": "object",
                             "required": [
                                 "basis",
-                                "lattice"
+                                "lattice",
+                                "metadata",
+                                "name"
                             ],
                             "properties": {
+                                "_id": {
+                                    "description": "entity identity",
+                                    "type": "string"
+                                },
+                                "slug": {
+                                    "description": "entity slug",
+                                    "type": "string"
+                                },
+                                "systemName": {
+                                    "type": "string"
+                                },
+                                "schemaVersion": {
+                                    "description": "entity's schema version. Used to distinct between different schemas.",
+                                    "type": "string",
+                                    "default": "2022.8.16"
+                                },
+                                "name": {
+                                    "description": "entity name",
+                                    "type": "string"
+                                },
+                                "isDefault": {
+                                    "description": "Identifies that entity is defaultable",
+                                    "type": "boolean",
+                                    "default": false
+                                },
                                 "formula": {
                                     "description": "reduced chemical formula",
                                     "type": "string"
@@ -976,33 +1003,95 @@
                                         }
                                     }
                                 },
-                                "_id": {
-                                    "description": "entity identity",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "entity slug",
-                                    "type": "string"
-                                },
-                                "systemName": {
-                                    "type": "string"
-                                },
-                                "schemaVersion": {
-                                    "description": "entity's schema version. Used to distinct between different schemas.",
-                                    "type": "string",
-                                    "default": "2022.8.16"
-                                },
-                                "name": {
-                                    "description": "entity name",
-                                    "type": "string"
-                                },
-                                "isDefault": {
-                                    "description": "Identifies that entity is defaultable",
-                                    "type": "boolean",
-                                    "default": false
-                                },
                                 "metadata": {
-                                    "type": "object"
+                                    "type": "object",
+                                    "default": {},
+                                    "anyOf": [
+                                        {
+                                            "$schema": "http://json-schema.org/draft-07/schema#",
+                                            "title": "material metadata boundary conditions",
+                                            "type": "object",
+                                            "properties": {
+                                                "boundaryConditions": {
+                                                    "type": "object",
+                                                    "required": [
+                                                        "type",
+                                                        "offset"
+                                                    ],
+                                                    "properties": {
+                                                        "type": {
+                                                            "type": "string",
+                                                            "enum": [
+                                                                "pbc",
+                                                                "bc1",
+                                                                "bc2",
+                                                                "bc3"
+                                                            ],
+                                                            "default": "pbc",
+                                                            "description": "If assume_isolated = 'esm', determines the boundary conditions used for either side of the slab."
+                                                        },
+                                                        "offset": {
+                                                            "type": "number"
+                                                        }
+                                                    }
+                                                }
+                                            },
+                                            "additionalProperties": true
+                                        },
+                                        {
+                                            "$schema": "http://json-schema.org/draft-07/schema#",
+                                            "title": "material metadata slab properties",
+                                            "type": "object",
+                                            "properties": {
+                                                "isSlab": {
+                                                    "description": "Whether the material was created as a surface slab",
+                                                    "type": "boolean"
+                                                },
+                                                "h": {
+                                                    "description": "Miller index h used to generate the slab",
+                                                    "type": "number"
+                                                },
+                                                "k": {
+                                                    "description": "Miller index k used to generate the slab",
+                                                    "type": "number"
+                                                },
+                                                "l": {
+                                                    "description": "Miller index l used to generate the slab",
+                                                    "type": "number"
+                                                },
+                                                "thickness": {
+                                                    "description": "Slab thickness in number of layers",
+                                                    "type": "number"
+                                                },
+                                                "vacuumRatio": {
+                                                    "description": "Vacuum fraction used when scaling the out-of-plane lattice vector",
+                                                    "type": "number"
+                                                },
+                                                "vx": {
+                                                    "description": "Termination vector component along a",
+                                                    "type": "number"
+                                                },
+                                                "vy": {
+                                                    "description": "Termination vector component along b",
+                                                    "type": "number"
+                                                }
+                                            },
+                                            "additionalProperties": true
+                                        },
+                                        {
+                                            "$schema": "http://json-schema.org/draft-07/schema#",
+                                            "title": "material metadata bulk properties",
+                                            "type": "object",
+                                            "properties": {
+                                                "bulkId": {
+                                                    "description": "Source bulk material id used to generate the slab",
+                                                    "type": "string"
+                                                }
+                                            },
+                                            "additionalProperties": true
+                                        }
+                                    ],
+                                    "additionalProperties": true
                                 }
                             }
                         },
@@ -1048,9 +1137,36 @@
                             "type": "object",
                             "required": [
                                 "basis",
-                                "lattice"
+                                "lattice",
+                                "metadata",
+                                "name"
                             ],
                             "properties": {
+                                "_id": {
+                                    "description": "entity identity",
+                                    "type": "string"
+                                },
+                                "slug": {
+                                    "description": "entity slug",
+                                    "type": "string"
+                                },
+                                "systemName": {
+                                    "type": "string"
+                                },
+                                "schemaVersion": {
+                                    "description": "entity's schema version. Used to distinct between different schemas.",
+                                    "type": "string",
+                                    "default": "2022.8.16"
+                                },
+                                "name": {
+                                    "description": "entity name",
+                                    "type": "string"
+                                },
+                                "isDefault": {
+                                    "description": "Identifies that entity is defaultable",
+                                    "type": "boolean",
+                                    "default": false
+                                },
                                 "formula": {
                                     "description": "reduced chemical formula",
                                     "type": "string"
@@ -1774,33 +1890,95 @@
                                         }
                                     }
                                 },
-                                "_id": {
-                                    "description": "entity identity",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "entity slug",
-                                    "type": "string"
-                                },
-                                "systemName": {
-                                    "type": "string"
-                                },
-                                "schemaVersion": {
-                                    "description": "entity's schema version. Used to distinct between different schemas.",
-                                    "type": "string",
-                                    "default": "2022.8.16"
-                                },
-                                "name": {
-                                    "description": "entity name",
-                                    "type": "string"
-                                },
-                                "isDefault": {
-                                    "description": "Identifies that entity is defaultable",
-                                    "type": "boolean",
-                                    "default": false
-                                },
                                 "metadata": {
-                                    "type": "object"
+                                    "type": "object",
+                                    "default": {},
+                                    "anyOf": [
+                                        {
+                                            "$schema": "http://json-schema.org/draft-07/schema#",
+                                            "title": "material metadata boundary conditions",
+                                            "type": "object",
+                                            "properties": {
+                                                "boundaryConditions": {
+                                                    "type": "object",
+                                                    "required": [
+                                                        "type",
+                                                        "offset"
+                                                    ],
+                                                    "properties": {
+                                                        "type": {
+                                                            "type": "string",
+                                                            "enum": [
+                                                                "pbc",
+                                                                "bc1",
+                                                                "bc2",
+                                                                "bc3"
+                                                            ],
+                                                            "default": "pbc",
+                                                            "description": "If assume_isolated = 'esm', determines the boundary conditions used for either side of the slab."
+                                                        },
+                                                        "offset": {
+                                                            "type": "number"
+                                                        }
+                                                    }
+                                                }
+                                            },
+                                            "additionalProperties": true
+                                        },
+                                        {
+                                            "$schema": "http://json-schema.org/draft-07/schema#",
+                                            "title": "material metadata slab properties",
+                                            "type": "object",
+                                            "properties": {
+                                                "isSlab": {
+                                                    "description": "Whether the material was created as a surface slab",
+                                                    "type": "boolean"
+                                                },
+                                                "h": {
+                                                    "description": "Miller index h used to generate the slab",
+                                                    "type": "number"
+                                                },
+                                                "k": {
+                                                    "description": "Miller index k used to generate the slab",
+                                                    "type": "number"
+                                                },
+                                                "l": {
+                                                    "description": "Miller index l used to generate the slab",
+                                                    "type": "number"
+                                                },
+                                                "thickness": {
+                                                    "description": "Slab thickness in number of layers",
+                                                    "type": "number"
+                                                },
+                                                "vacuumRatio": {
+                                                    "description": "Vacuum fraction used when scaling the out-of-plane lattice vector",
+                                                    "type": "number"
+                                                },
+                                                "vx": {
+                                                    "description": "Termination vector component along a",
+                                                    "type": "number"
+                                                },
+                                                "vy": {
+                                                    "description": "Termination vector component along b",
+                                                    "type": "number"
+                                                }
+                                            },
+                                            "additionalProperties": true
+                                        },
+                                        {
+                                            "$schema": "http://json-schema.org/draft-07/schema#",
+                                            "title": "material metadata bulk properties",
+                                            "type": "object",
+                                            "properties": {
+                                                "bulkId": {
+                                                    "description": "Source bulk material id used to generate the slab",
+                                                    "type": "string"
+                                                }
+                                            },
+                                            "additionalProperties": true
+                                        }
+                                    ],
+                                    "additionalProperties": true
                                 }
                             }
                         }

package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json

@@ -21,9 +21,37 @@
                         "type": "object",
                         "required": [
                             "basis",
-                            "lattice"
+                            "lattice",
+                            "metadata",
+                            "name"
                         ],
+                        "description": "Domain-specific fields of a material entity, kept separate from generic in-memory-entity mixins (name, isDefault, etc.). Full entity schemas compose *_properties.json fragments via allOf (see material.json). The _properties filename suffix marks schemas that serve as the input for generated TypeScript entity mixins — MaterialSchemaMixin in @mat3ra/made, following the same pattern as ApplicationSchemaMixin in @mat3ra/ade (scripts/generate-mixins.ts and generateSchemaMixin in @mat3ra/code).",
                         "properties": {
+                            "_id": {
+                                "description": "entity identity",
+                                "type": "string"
+                            },
+                            "slug": {
+                                "description": "entity slug",
+                                "type": "string"
+                            },
+                            "systemName": {
+                                "type": "string"
+                            },
+                            "schemaVersion": {
+                                "description": "entity's schema version. Used to distinct between different schemas.",
+                                "type": "string",
+                                "default": "2022.8.16"
+                            },
+                            "name": {
+                                "description": "entity name",
+                                "type": "string"
+                            },
+                            "isDefault": {
+                                "description": "Identifies that entity is defaultable",
+                                "type": "boolean",
+                                "default": false
+                            },
                             "formula": {
                                 "description": "reduced chemical formula",
                                 "type": "string"
@@ -747,33 +775,95 @@
                                     }
                                 }
                             },
-                            "_id": {
-                                "description": "entity identity",
-                                "type": "string"
-                            },
-                            "slug": {
-                                "description": "entity slug",
-                                "type": "string"
-                            },
-                            "systemName": {
-                                "type": "string"
-                            },
-                            "schemaVersion": {
-                                "description": "entity's schema version. Used to distinct between different schemas.",
-                                "type": "string",
-                                "default": "2022.8.16"
-                            },
-                            "name": {
-                                "description": "entity name",
-                                "type": "string"
-                            },
-                            "isDefault": {
-                                "description": "Identifies that entity is defaultable",
-                                "type": "boolean",
-                                "default": false
-                            },
                             "metadata": {
-                                "type": "object"
+                                "type": "object",
+                                "default": {},
+                                "anyOf": [
+                                    {
+                                        "$schema": "http://json-schema.org/draft-07/schema#",
+                                        "title": "material metadata boundary conditions",
+                                        "type": "object",
+                                        "properties": {
+                                            "boundaryConditions": {
+                                                "type": "object",
+                                                "required": [
+                                                    "type",
+                                                    "offset"
+                                                ],
+                                                "properties": {
+                                                    "type": {
+                                                        "type": "string",
+                                                        "enum": [
+                                                            "pbc",
+                                                            "bc1",
+                                                            "bc2",
+                                                            "bc3"
+                                                        ],
+                                                        "default": "pbc",
+                                                        "description": "If assume_isolated = 'esm', determines the boundary conditions used for either side of the slab."
+                                                    },
+                                                    "offset": {
+                                                        "type": "number"
+                                                    }
+                                                }
+                                            }
+                                        },
+                                        "additionalProperties": true
+                                    },
+                                    {
+                                        "$schema": "http://json-schema.org/draft-07/schema#",
+                                        "title": "material metadata slab properties",
+                                        "type": "object",
+                                        "properties": {
+                                            "isSlab": {
+                                                "description": "Whether the material was created as a surface slab",
+                                                "type": "boolean"
+                                            },
+                                            "h": {
+                                                "description": "Miller index h used to generate the slab",
+                                                "type": "number"
+                                            },
+                                            "k": {
+                                                "description": "Miller index k used to generate the slab",
+                                                "type": "number"
+                                            },
+                                            "l": {
+                                                "description": "Miller index l used to generate the slab",
+                                                "type": "number"
+                                            },
+                                            "thickness": {
+                                                "description": "Slab thickness in number of layers",
+                                                "type": "number"
+                                            },
+                                            "vacuumRatio": {
+                                                "description": "Vacuum fraction used when scaling the out-of-plane lattice vector",
+                                                "type": "number"
+                                            },
+                                            "vx": {
+                                                "description": "Termination vector component along a",
+                                                "type": "number"
+                                            },
+                                            "vy": {
+                                                "description": "Termination vector component along b",
+                                                "type": "number"
+                                            }
+                                        },
+                                        "additionalProperties": true
+                                    },
+                                    {
+                                        "$schema": "http://json-schema.org/draft-07/schema#",
+                                        "title": "material metadata bulk properties",
+                                        "type": "object",
+                                        "properties": {
+                                            "bulkId": {
+                                                "description": "Source bulk material id used to generate the slab",
+                                                "type": "string"
+                                            }
+                                        },
+                                        "additionalProperties": true
+                                    }
+                                ],
+                                "additionalProperties": true
                             }
                         }
                     },
@@ -795,9 +885,36 @@
                                 "type": "object",
                                 "required": [
                                     "basis",
-                                    "lattice"
+                                    "lattice",
+                                    "metadata",
+                                    "name"
                                 ],
                                 "properties": {
+                                    "_id": {
+                                        "description": "entity identity",
+                                        "type": "string"
+                                    },
+                                    "slug": {
+                                        "description": "entity slug",
+                                        "type": "string"
+                                    },
+                                    "systemName": {
+                                        "type": "string"
+                                    },
+                                    "schemaVersion": {
+                                        "description": "entity's schema version. Used to distinct between different schemas.",
+                                        "type": "string",
+                                        "default": "2022.8.16"
+                                    },
+                                    "name": {
+                                        "description": "entity name",
+                                        "type": "string"
+                                    },
+                                    "isDefault": {
+                                        "description": "Identifies that entity is defaultable",
+                                        "type": "boolean",
+                                        "default": false
+                                    },
                                     "formula": {
                                         "description": "reduced chemical formula",
                                         "type": "string"
@@ -1521,33 +1638,95 @@
                                             }
                                         }
                                     },
-                                    "_id": {
-                                        "description": "entity identity",
-                                        "type": "string"
-                                    },
-                                    "slug": {
-                                        "description": "entity slug",
-                                        "type": "string"
-                                    },
-                                    "systemName": {
-                                        "type": "string"
-                                    },
-                                    "schemaVersion": {
-                                        "description": "entity's schema version. Used to distinct between different schemas.",
-                                        "type": "string",
-                                        "default": "2022.8.16"
-                                    },
-                                    "name": {
-                                        "description": "entity name",
-                                        "type": "string"
-                                    },
-                                    "isDefault": {
-                                        "description": "Identifies that entity is defaultable",
-                                        "type": "boolean",
-                                        "default": false
-                                    },
                                     "metadata": {
-                                        "type": "object"
+                                        "type": "object",
+                                        "default": {},
+                                        "anyOf": [
+                                            {
+                                                "$schema": "http://json-schema.org/draft-07/schema#",
+                                                "title": "material metadata boundary conditions",
+                                                "type": "object",
+                                                "properties": {
+                                                    "boundaryConditions": {
+                                                        "type": "object",
+                                                        "required": [
+                                                            "type",
+                                                            "offset"
+                                                        ],
+                                                        "properties": {
+                                                            "type": {
+                                                                "type": "string",
+                                                                "enum": [
+                                                                    "pbc",
+                                                                    "bc1",
+                                                                    "bc2",
+                                                                    "bc3"
+                                                                ],
+                                                                "default": "pbc",
+                                                                "description": "If assume_isolated = 'esm', determines the boundary conditions used for either side of the slab."
+                                                            },
+                                                            "offset": {
+                                                                "type": "number"
+                                                            }
+                                                        }
+                                                    }
+                                                },
+                                                "additionalProperties": true
+                                            },
+                                            {
+                                                "$schema": "http://json-schema.org/draft-07/schema#",
+                                                "title": "material metadata slab properties",
+                                                "type": "object",
+                                                "properties": {
+                                                    "isSlab": {
+                                                        "description": "Whether the material was created as a surface slab",
+                                                        "type": "boolean"
+                                                    },
+                                                    "h": {
+                                                        "description": "Miller index h used to generate the slab",
+                                                        "type": "number"
+                                                    },
+                                                    "k": {
+                                                        "description": "Miller index k used to generate the slab",
+                                                        "type": "number"
+                                                    },
+                                                    "l": {
+                                                        "description": "Miller index l used to generate the slab",
+                                                        "type": "number"
+                                                    },
+                                                    "thickness": {
+                                                        "description": "Slab thickness in number of layers",
+                                                        "type": "number"
+                                                    },
+                                                    "vacuumRatio": {
+                                                        "description": "Vacuum fraction used when scaling the out-of-plane lattice vector",
+                                                        "type": "number"
+                                                    },
+                                                    "vx": {
+                                                        "description": "Termination vector component along a",
+                                                        "type": "number"
+                                                    },
+                                                    "vy": {
+                                                        "description": "Termination vector component along b",
+                                                        "type": "number"
+                                                    }
+                                                },
+                                                "additionalProperties": true
+                                            },
+                                            {
+                                                "$schema": "http://json-schema.org/draft-07/schema#",
+                                                "title": "material metadata bulk properties",
+                                                "type": "object",
+                                                "properties": {
+                                                    "bulkId": {
+                                                        "description": "Source bulk material id used to generate the slab",
+                                                        "type": "string"
+                                                    }
+                                                },
+                                                "additionalProperties": true
+                                            }
+                                        ],
+                                        "additionalProperties": true
                                     }
                                 }
                             },