@mat3ra/prode 2026.5.28-0 → 2026.6.5-0

package/dist/js/PropertyFactory.d.ts

@@ -1,5 +1,5 @@
 import type { MetaPropertyHolderSchema, PropertyHolderSchema, ProtoPropertyHolderSchema } from "@mat3ra/esse/dist/js/types";
-import PseudopotentialProperty from "./meta_properties/PseudopotentialMetaProperty";
+import type MetaProperty from "./MetaProperty";
 import AveragePotentialProfileProperty from "./properties/non-scalar/AveragePotentialProfileProperty";
 import BandGapsProperty from "./properties/non-scalar/BandGapsProperty";
 import BandStructureProperty from "./properties/non-scalar/BandStructureProperty";
@@ -23,6 +23,7 @@ import WavefunctionAmplitudeProperty from "./properties/non-scalar/WavefunctionA
 import WorkflowProperty from "./properties/non-scalar/WorkflowProperty";
 import TotalEnergyContributionsProperty from "./properties/object/TotalEnergyContributionsProperty";
 import FermiEnergyProperty from "./properties/scalar/FermiEnergyProperty";
+import FormationEnergyProperty from "./properties/scalar/FormationEnergyProperty";
 import HOMOEnergyProperty from "./properties/scalar/HOMOEnergyProperty";
 import IonizationPotentialElementalProperty from "./properties/scalar/IonizationPotentialElementalProperty";
 import LUMOEnergyProperty from "./properties/scalar/LUMOEnergyProperty";
@@ -52,8 +53,8 @@ export default class PropertyFactory {
     static getScalarPropertyNames(): PropertyName[];
     static getNonScalarPropertyNames(): PropertyName[];
     private static filterPropertyNames;
-    static createProperty(config: AnyProperty): AveragePotentialProfileProperty | BandGapsProperty | BandStructureProperty | ChargeDensityProfileProperty | ConvergenceElectronicProperty | ConvergenceIonicProperty | DensityOfStatesProperty | DielectricTensorProperty | FileContentProperty | FinalStructureProperty | HubbardUProperty | HubbardVNNProperty | HubbardVProperty | IsRelaxedProperty | JupyterNotebookEndpointProperty | PhononDispersionsProperty | PhononDOSProperty | PotentialProfileProperty | ReactionEnergyProfileProperty | WavefunctionAmplitudeProperty | WorkflowProperty | TotalEnergyContributionsProperty | FermiEnergyProperty | HOMOEnergyProperty | IonizationPotentialElementalProperty | LUMOEnergyProperty | PressureProperty | ReactionEnergyBarrierProperty | SurfaceEnergyProperty | ThermalCorrectionToEnergyProperty | ThermalCorrectionToEnthalpyProperty | TotalEnergyProperty | TotalForcesProperty | ValenceBandOffsetProperty | ZeroPointEnergyProperty | AtomicForcesProperty | MagneticMomentsProperty | StressTensorProperty;
-    static createMetaProperty(config: AnyMetaProperty): PseudopotentialProperty;
+    static createProperty(config: AnyProperty): AveragePotentialProfileProperty | BandGapsProperty | BandStructureProperty | ChargeDensityProfileProperty | ConvergenceElectronicProperty | ConvergenceIonicProperty | DensityOfStatesProperty | DielectricTensorProperty | FileContentProperty | FinalStructureProperty | HubbardUProperty | HubbardVNNProperty | HubbardVProperty | IsRelaxedProperty | JupyterNotebookEndpointProperty | PhononDispersionsProperty | PhononDOSProperty | PotentialProfileProperty | ReactionEnergyProfileProperty | WavefunctionAmplitudeProperty | WorkflowProperty | TotalEnergyContributionsProperty | FermiEnergyProperty | FormationEnergyProperty | HOMOEnergyProperty | IonizationPotentialElementalProperty | LUMOEnergyProperty | PressureProperty | ReactionEnergyBarrierProperty | SurfaceEnergyProperty | ThermalCorrectionToEnergyProperty | ThermalCorrectionToEnthalpyProperty | TotalEnergyProperty | TotalForcesProperty | ValenceBandOffsetProperty | ZeroPointEnergyProperty | AtomicForcesProperty | MagneticMomentsProperty | StressTensorProperty;
+    static createMetaProperty(config: AnyMetaProperty): MetaProperty;
     static createProtoProperty(config: AnyProtoProperty): AtomicConstraintsProperty | BoundaryConditionsProperty;
 }
 export {};

package/dist/js/PropertyFactory.js

@@ -27,6 +27,7 @@ const WavefunctionAmplitudeProperty_1 = __importDefault(require("./properties/no
 const WorkflowProperty_1 = __importDefault(require("./properties/non-scalar/WorkflowProperty"));
 const TotalEnergyContributionsProperty_1 = __importDefault(require("./properties/object/TotalEnergyContributionsProperty"));
 const FermiEnergyProperty_1 = __importDefault(require("./properties/scalar/FermiEnergyProperty"));
+const FormationEnergyProperty_1 = __importDefault(require("./properties/scalar/FormationEnergyProperty"));
 const HOMOEnergyProperty_1 = __importDefault(require("./properties/scalar/HOMOEnergyProperty"));
 const IonizationPotentialElementalProperty_1 = __importDefault(require("./properties/scalar/IonizationPotentialElementalProperty"));
 const LUMOEnergyProperty_1 = __importDefault(require("./properties/scalar/LUMOEnergyProperty"));
@@ -51,6 +52,7 @@ const PROPERTY_CLASS_MAP = {
     [TotalEnergyProperty_1.default.propertyName]: TotalEnergyProperty_1.default,
     [HOMOEnergyProperty_1.default.propertyName]: HOMOEnergyProperty_1.default,
     [LUMOEnergyProperty_1.default.propertyName]: LUMOEnergyProperty_1.default,
+    [FormationEnergyProperty_1.default.propertyName]: FormationEnergyProperty_1.default,
     [SurfaceEnergyProperty_1.default.propertyName]: SurfaceEnergyProperty_1.default,
     [ConvergenceElectronicProperty_1.default.propertyName]: ConvergenceElectronicProperty_1.default,
     [ConvergenceIonicProperty_1.default.propertyName]: ConvergenceIonicProperty_1.default,

package/dist/js/generated/FormationEnergyPropertySchemaMixin.d.ts

@@ -0,0 +1,5 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { FormationEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+export type FormationEnergyPropertySchemaMixin = Omit<FormationEnergyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
+export type FormationEnergyPropertyInMemoryEntity = InMemoryEntity & FormationEnergyPropertySchemaMixin;
+export declare function formationEnergyPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & FormationEnergyPropertySchemaMixin;

package/dist/js/generated/FormationEnergyPropertySchemaMixin.js

@@ -0,0 +1,27 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.formationEnergyPropertySchemaMixin = formationEnergyPropertySchemaMixin;
+function formationEnergyPropertySchemaMixin(item) {
+    // @ts-expect-error
+    const properties = {
+        get name() {
+            return this.requiredProp("name");
+        },
+        set name(value) {
+            this.setProp("name", value);
+        },
+        get units() {
+            return this.requiredProp("units");
+        },
+        set units(value) {
+            this.setProp("units", value);
+        },
+        get value() {
+            return this.requiredProp("value");
+        },
+        set value(value) {
+            this.setProp("value", value);
+        },
+    };
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

package/dist/js/holders/mixins/MetaPropertyHolderMixin.js

@@ -7,7 +7,6 @@ exports.metaPropertyHolderMixin = metaPropertyHolderMixin;
 const MetaPropertyHolderSchemaMixin_1 = require("../../generated/MetaPropertyHolderSchemaMixin");
 const PropertyFactory_1 = __importDefault(require("../../PropertyFactory"));
 function metaPropertyHolderMixin(item) {
-    // @ts-expect-error - this is a workaround to allow the metaPropertyMixin to be used with any type of entity
     const properties = {
         get property() {
             return PropertyFactory_1.default.createMetaProperty(this.data);

package/dist/js/index.d.ts

@@ -8,6 +8,7 @@ export { default as BandGapsProperty } from "./properties/non-scalar/BandGapsPro
 export { default as IsRelaxedProperty } from "./properties/non-scalar/IsRelaxedProperty";
 export { default as PressureProperty } from "./properties/scalar/PressureProperty";
 export { default as ReactionEnergyBarrierProperty } from "./properties/scalar/ReactionEnergyBarrierProperty";
+export { default as FormationEnergyProperty } from "./properties/scalar/FormationEnergyProperty";
 export { default as SurfaceEnergyProperty } from "./properties/scalar/SurfaceEnergyProperty";
 export { default as TotalEnergyProperty } from "./properties/scalar/TotalEnergyProperty";
 export { default as HOMOEnergyProperty } from "./properties/scalar/HOMOEnergyProperty";

package/dist/js/index.js

@@ -17,7 +17,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.ProtoPropertyHolder = exports.MetaPropertyHolder = exports.PropertyHolder = exports.metaPropertyHolderMixin = exports.propertyHolderMixin = exports.protoPropertyHolderMixin = exports.ReactionEnergyProfileProperty = exports.WavefunctionAmplitudeProperty = exports.PotentialProfileProperty = exports.ChargeDensityProfileProperty = exports.BandStructureProperty = exports.ThermalCorrectionToEnthalpyProperty = exports.ThermalCorrectionToEnergyProperty = exports.LUMOEnergyProperty = exports.HOMOEnergyProperty = exports.TotalEnergyProperty = exports.SurfaceEnergyProperty = exports.ReactionEnergyBarrierProperty = exports.PressureProperty = exports.IsRelaxedProperty = exports.BandGapsProperty = exports.FinalStructureProperty = exports.PseudopotentialMetaProperty = exports.MetaProperty = exports.Property = exports.PropertyType = exports.PropertyName = exports.PropertyFactory = void 0;
+exports.ProtoPropertyHolder = exports.MetaPropertyHolder = exports.PropertyHolder = exports.metaPropertyHolderMixin = exports.propertyHolderMixin = exports.protoPropertyHolderMixin = exports.ReactionEnergyProfileProperty = exports.WavefunctionAmplitudeProperty = exports.PotentialProfileProperty = exports.ChargeDensityProfileProperty = exports.BandStructureProperty = exports.ThermalCorrectionToEnthalpyProperty = exports.ThermalCorrectionToEnergyProperty = exports.LUMOEnergyProperty = exports.HOMOEnergyProperty = exports.TotalEnergyProperty = exports.SurfaceEnergyProperty = exports.FormationEnergyProperty = exports.ReactionEnergyBarrierProperty = exports.PressureProperty = exports.IsRelaxedProperty = exports.BandGapsProperty = exports.FinalStructureProperty = exports.PseudopotentialMetaProperty = exports.MetaProperty = exports.Property = exports.PropertyType = exports.PropertyName = exports.PropertyFactory = void 0;
 var PropertyFactory_1 = require("./PropertyFactory");
 Object.defineProperty(exports, "PropertyFactory", { enumerable: true, get: function () { return __importDefault(PropertyFactory_1).default; } });
 var settings_1 = require("./settings");
@@ -39,6 +39,8 @@ var PressureProperty_1 = require("./properties/scalar/PressureProperty");
 Object.defineProperty(exports, "PressureProperty", { enumerable: true, get: function () { return __importDefault(PressureProperty_1).default; } });
 var ReactionEnergyBarrierProperty_1 = require("./properties/scalar/ReactionEnergyBarrierProperty");
 Object.defineProperty(exports, "ReactionEnergyBarrierProperty", { enumerable: true, get: function () { return __importDefault(ReactionEnergyBarrierProperty_1).default; } });
+var FormationEnergyProperty_1 = require("./properties/scalar/FormationEnergyProperty");
+Object.defineProperty(exports, "FormationEnergyProperty", { enumerable: true, get: function () { return __importDefault(FormationEnergyProperty_1).default; } });
 var SurfaceEnergyProperty_1 = require("./properties/scalar/SurfaceEnergyProperty");
 Object.defineProperty(exports, "SurfaceEnergyProperty", { enumerable: true, get: function () { return __importDefault(SurfaceEnergyProperty_1).default; } });
 var TotalEnergyProperty_1 = require("./properties/scalar/TotalEnergyProperty");

package/dist/js/properties/scalar/FormationEnergyProperty.d.ts

@@ -0,0 +1,15 @@
+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { FormationEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+import { FormationEnergyPropertySchemaMixin } from "../../generated/FormationEnergyPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+type Schema = FormationEnergyPropertySchema;
+type Base = typeof Property<Schema> & Constructor<FormationEnergyPropertySchemaMixin>;
+declare const FormationEnergyProperty_base: Base;
+export default class FormationEnergyProperty extends FormationEnergyProperty_base implements Schema {
+    static readonly isRefined = true;
+    static readonly propertyName = PropertyName.formation_energy;
+    static readonly propertyType = PropertyType.scalar;
+    constructor(config: Omit<Schema, "name">);
+}
+export {};

package/dist/js/properties/scalar/FormationEnergyProperty.js

@@ -0,0 +1,18 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const FormationEnergyPropertySchemaMixin_1 = require("../../generated/FormationEnergyPropertySchemaMixin");
+const Property_1 = __importDefault(require("../../Property"));
+const settings_1 = require("../../settings");
+class FormationEnergyProperty extends Property_1.default {
+    constructor(config) {
+        super({ ...config, name: FormationEnergyProperty.propertyName });
+    }
+}
+FormationEnergyProperty.isRefined = true;
+FormationEnergyProperty.propertyName = settings_1.PropertyName.formation_energy;
+FormationEnergyProperty.propertyType = settings_1.PropertyType.scalar;
+exports.default = FormationEnergyProperty;
+(0, FormationEnergyPropertySchemaMixin_1.formationEnergyPropertySchemaMixin)(FormationEnergyProperty.prototype);

package/dist/js/settings.d.ts

@@ -15,6 +15,7 @@ export declare enum PropertyName {
     homo_energy = "homo_energy",
     lumo_energy = "lumo_energy",
     surface_energy = "surface_energy",
+    formation_energy = "formation_energy",
     convergence_electronic = "convergence_electronic",
     convergence_ionic = "convergence_ionic",
     fermi_energy = "fermi_energy",

package/dist/js/settings.js

@@ -23,6 +23,7 @@ var PropertyName;
     PropertyName["homo_energy"] = "homo_energy";
     PropertyName["lumo_energy"] = "lumo_energy";
     PropertyName["surface_energy"] = "surface_energy";
+    PropertyName["formation_energy"] = "formation_energy";
     PropertyName["convergence_electronic"] = "convergence_electronic";
     PropertyName["convergence_ionic"] = "convergence_ionic";
     PropertyName["fermi_energy"] = "fermi_energy";

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/prode",
-    "version": "2026.5.28-0",
+    "version": "2026.6.5-0",
     "description": "PROperty DEfinitions",
     "scripts": {
         "test": "nyc --reporter=text mocha --recursive --bail",
@@ -52,7 +52,7 @@
         "@babel/eslint-parser": "^7.16.3",
         "@exabyte-io/eslint-config": "2025.5.13-0",
         "@mat3ra/code": "2026.5.27-0",
-        "@mat3ra/esse": "2026.5.27-0",
+        "@mat3ra/esse": "2026.6.5-0",
         "@mat3ra/made": "2026.5.28-0",
         "@mat3ra/tsconfig": "2024.6.3-0",
         "@types/lodash": "^4.17.20",

package/src/js/PropertyFactory.ts

@@ -6,6 +6,7 @@ import type {
 } from "@mat3ra/esse/dist/js/types";
 
 import PseudopotentialProperty from "./meta_properties/PseudopotentialMetaProperty";
+import type MetaProperty from "./MetaProperty";
 import AveragePotentialProfileProperty from "./properties/non-scalar/AveragePotentialProfileProperty";
 import BandGapsProperty from "./properties/non-scalar/BandGapsProperty";
 import BandStructureProperty from "./properties/non-scalar/BandStructureProperty";
@@ -29,6 +30,7 @@ import WavefunctionAmplitudeProperty from "./properties/non-scalar/WavefunctionA
 import WorkflowProperty from "./properties/non-scalar/WorkflowProperty";
 import TotalEnergyContributionsProperty from "./properties/object/TotalEnergyContributionsProperty";
 import FermiEnergyProperty from "./properties/scalar/FermiEnergyProperty";
+import FormationEnergyProperty from "./properties/scalar/FormationEnergyProperty";
 import HOMOEnergyProperty from "./properties/scalar/HOMOEnergyProperty";
 import IonizationPotentialElementalProperty from "./properties/scalar/IonizationPotentialElementalProperty";
 import LUMOEnergyProperty from "./properties/scalar/LUMOEnergyProperty";
@@ -60,6 +62,7 @@ type PropertyClassMap = {
         | Constructor<TotalEnergyProperty>
         | Constructor<HOMOEnergyProperty>
         | Constructor<LUMOEnergyProperty>
+        | Constructor<FormationEnergyProperty>
         | Constructor<SurfaceEnergyProperty>
         | Constructor<ConvergenceElectronicProperty>
         | Constructor<ConvergenceIonicProperty>
@@ -111,6 +114,7 @@ const PROPERTY_CLASS_MAP: PropertyClassMap = {
     [TotalEnergyProperty.propertyName]: TotalEnergyProperty,
     [HOMOEnergyProperty.propertyName]: HOMOEnergyProperty,
     [LUMOEnergyProperty.propertyName]: LUMOEnergyProperty,
+    [FormationEnergyProperty.propertyName]: FormationEnergyProperty,
     [SurfaceEnergyProperty.propertyName]: SurfaceEnergyProperty,
     [ConvergenceElectronicProperty.propertyName]: ConvergenceElectronicProperty,
     [ConvergenceIonicProperty.propertyName]: ConvergenceIonicProperty,
@@ -208,7 +212,7 @@ export default class PropertyFactory {
         return new PropertyClass(config);
     }
 
-    static createMetaProperty(config: AnyMetaProperty) {
+    static createMetaProperty(config: AnyMetaProperty): MetaProperty {
         const { name } = config;
         const PropertyClass = META_PROPERTY_CLASS_MAP[name];
         return new PropertyClass(config);

package/src/js/generated/FormationEnergyPropertySchemaMixin.ts

@@ -0,0 +1,38 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { FormationEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+export type FormationEnergyPropertySchemaMixin = Omit<
+    FormationEnergyPropertySchema,
+    "_id" | "slug" | "systemName" | "schemaVersion"
+>;
+
+export type FormationEnergyPropertyInMemoryEntity = InMemoryEntity &
+    FormationEnergyPropertySchemaMixin;
+
+export function formationEnergyPropertySchemaMixin<T extends InMemoryEntity>(
+    item: InMemoryEntity,
+): asserts item is T & FormationEnergyPropertySchemaMixin {
+    // @ts-expect-error
+    const properties: InMemoryEntity & FormationEnergyPropertySchemaMixin = {
+        get name() {
+            return this.requiredProp<FormationEnergyPropertySchema["name"]>("name");
+        },
+        set name(value: FormationEnergyPropertySchema["name"]) {
+            this.setProp("name", value);
+        },
+        get units() {
+            return this.requiredProp<FormationEnergyPropertySchema["units"]>("units");
+        },
+        set units(value: FormationEnergyPropertySchema["units"]) {
+            this.setProp("units", value);
+        },
+        get value() {
+            return this.requiredProp<FormationEnergyPropertySchema["value"]>("value");
+        },
+        set value(value: FormationEnergyPropertySchema["value"]) {
+            this.setProp("value", value);
+        },
+    };
+
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

package/src/js/holders/mixins/MetaPropertyHolderMixin.ts

@@ -18,12 +18,11 @@ export type MetaPropertyHolderMixin = {
 export type MetaPropertyInMemoryEntity = InMemoryEntity & MetaPropertyHolderMixin;
 
 export function metaPropertyHolderMixin(item: InMemoryEntity) {
-    // @ts-expect-error - this is a workaround to allow the metaPropertyMixin to be used with any type of entity
-    const properties: InMemoryEntity & MetaPropertyHolderMixin = {
-        get property() {
-            return PropertyFactory.createMetaProperty(this.data);
+    const properties = {
+        get property(): PseudopotentialMetaProperty {
+            return PropertyFactory.createMetaProperty(this.data) as PseudopotentialMetaProperty;
         },
-    };
+    } as InMemoryEntity & MetaPropertyHolderMixin;
 
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 

package/src/js/index.ts

@@ -8,6 +8,7 @@ export { default as BandGapsProperty } from "./properties/non-scalar/BandGapsPro
 export { default as IsRelaxedProperty } from "./properties/non-scalar/IsRelaxedProperty";
 export { default as PressureProperty } from "./properties/scalar/PressureProperty";
 export { default as ReactionEnergyBarrierProperty } from "./properties/scalar/ReactionEnergyBarrierProperty";
+export { default as FormationEnergyProperty } from "./properties/scalar/FormationEnergyProperty";
 export { default as SurfaceEnergyProperty } from "./properties/scalar/SurfaceEnergyProperty";
 export { default as TotalEnergyProperty } from "./properties/scalar/TotalEnergyProperty";
 export { default as HOMOEnergyProperty } from "./properties/scalar/HOMOEnergyProperty";

package/src/js/properties/scalar/FormationEnergyProperty.ts

@@ -0,0 +1,27 @@
+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { FormationEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    FormationEnergyPropertySchemaMixin,
+    formationEnergyPropertySchemaMixin,
+} from "../../generated/FormationEnergyPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = FormationEnergyPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<FormationEnergyPropertySchemaMixin>;
+
+export default class FormationEnergyProperty extends (Property as Base) implements Schema {
+    static readonly isRefined = true;
+
+    static readonly propertyName = PropertyName.formation_energy;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: FormationEnergyProperty.propertyName });
+    }
+}
+
+formationEnergyPropertySchemaMixin(FormationEnergyProperty.prototype);

package/src/js/settings.ts

@@ -19,6 +19,7 @@ export enum PropertyName {
     homo_energy = "homo_energy",
     lumo_energy = "lumo_energy",
     surface_energy = "surface_energy",
+    formation_energy = "formation_energy",
     convergence_electronic = "convergence_electronic",
     convergence_ionic = "convergence_ionic",
     fermi_energy = "fermi_energy",