{ "counts": { "above_hull": 0, "entries": 8, "intervals": 7, "vertices": 8 }, "elements": [ "SI", "U" ], "flags": [ "has_intermediate_phases" ], "isotherms": [ { "element_reference": { "SI": { "energy": -5608.21179050264, "phase": "DIAMOND_A4" }, "U": { "energy": -14967.130443705237, "phase": "ORTHORHOMBIC_A20" } }, "intervals": [ { "enthalpy": { "intercept": 0.0, "slope": -132214.8131669443 }, "entropy": { "intercept": 0.0, "slope": -0.2785311216023558 }, "intercept": 0.0, "kind": "two_phase", "left": { "phase": "DIAMOND_A4", "x": 0.0 }, "mu_a_rel": 0.0, "mu_b_rel": -132131.7691130386, "right": { "phase": "SI3U_L12", "x": 0.25 }, "slope": -132131.7691130386, "x_hi": 0.25, "x_lo": 0.0 }, { "enthalpy": { "intercept": -6763.052481093884, "slope": -105162.60324256877 }, "entropy": { "intercept": 1.9524441599772882, "slope": -8.088307761511508 }, "intercept": -7345.17370739119, "kind": "two_phase", "left": { "phase": "SI3U_L12", "x": 0.25 }, "mu_a_rel": -7345.17370739119, "mu_b_rel": -110096.24799086504, "right": { "phase": "SI2U_CC", "x": 0.3472222222222222 }, "slope": -102751.07428347385, "x_hi": 0.3472222222222222, "x_lo": 0.25 }, { "enthalpy": { "intercept": -41401.797374736554, "slope": -5403.017948877879 }, "entropy": { "intercept": -6.443593369693649, "slope": 16.09228032394079 }, "intercept": -39480.64001156216, "kind": "two_phase", "left": { "phase": "SI2U_CC", "x": 0.3472222222222222 }, "mu_a_rel": -39480.64001156216, "mu_b_rel": -49681.57133902362, "right": { "phase": "SI5U3_C32", "x": 0.375 }, "slope": -10200.931327461465, "x_hi": 0.375, "x_lo": 0.3472222222222222 }, { "enthalpy": { "intercept": -51851.70172480193, "slope": 22463.39365129646 }, "entropy": { "intercept": -1.4140249293847544, "slope": 2.680097816450406 }, "intercept": -51430.11019210585, "kind": "two_phase", "left": { "phase": "SI5U3_C32", "x": 0.375 }, "mu_a_rel": -51430.11019210585, "mu_b_rel": -29765.787704784136, "right": { "phase": "SIU_B27", "x": 0.489 }, "slope": 21664.322487321715, "x_hi": 0.489, "x_lo": 0.375 }, { "enthalpy": { "intercept": -68818.07847271502, "slope": 57159.46062044389 }, "entropy": { "intercept": -9.433142452831428, "slope": 19.079111156832152 }, "intercept": -66005.58705040347, "kind": "two_phase", "left": { "phase": "SIU_B27", "x": 0.489 }, "mu_a_rel": -66005.58705040347, "mu_b_rel": -14534.563421368846, "right": { "phase": "SI2U3_D5A", "x": 0.6000000000000001 }, "slope": 51471.02362903462, "x_hi": 0.6000000000000001, "x_lo": 0.489 }, { "enthalpy": { "intercept": -87370.60240081337, "slope": 88080.33383394114 }, "entropy": { "intercept": 1.2873764633394198, "slope": 1.2115796298807413 }, "intercept": -87754.43369335795, "kind": "two_phase", "left": { "phase": "SI2U3_D5A", "x": 0.6000000000000001 }, "mu_a_rel": -87754.43369335795, "mu_b_rel": -35.33232606585079, "right": { "phase": "SIU3_D0C", "x": 0.75 }, "slope": 87719.1013672921, "x_hi": 0.75, "x_lo": 0.6000000000000001 }, { "enthalpy": { "intercept": -85241.40810143009, "slope": 85241.40810143009 }, "entropy": { "intercept": 8.784244742999903, "slope": -8.784244742999903 }, "intercept": -87860.4306715555, "kind": "two_phase", "left": { "phase": "SIU3_D0C", "x": 0.75 }, "mu_a_rel": -87860.4306715555, "mu_b_rel": 0.0, "right": { "phase": "ORTHORHOMBIC_A20", "x": 1.0 }, "slope": 87860.4306715555, "x_hi": 1.0, "x_lo": 0.75 } ], "temperature_K": 298.15, "vertices": [ { "collinear": false, "degenerate": [], "energy": 0.0, "energy_per_atom": 0.0, "enthalpy": 0.0, "entries_at_x": 1, "entropy": 0.0, "formula": "", "nsites": null, "phase": "DIAMOND_A4", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.0 }, { "collinear": false, "degenerate": [], "energy": -33032.94227825965, "energy_per_atom": -33032.94227825965, "enthalpy": -33053.70329173608, "entries_at_x": 1, "entropy": -0.06963278040058896, "formula": "", "nsites": null, "phase": "SI3U_L12", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.25 }, { "collinear": false, "degenerate": [], "energy": -43022.63005581961, "energy_per_atom": -43022.63005581961, "enthalpy": -43277.845273652485, "entries_at_x": 1, "entropy": -0.8559960349919855, "formula": "", "nsites": null, "phase": "SI2U_CC", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.3472222222222222 }, { "collinear": false, "degenerate": [], "energy": -43305.989259360205, "energy_per_atom": -43305.989259360205, "enthalpy": -43427.92910556576, "entries_at_x": 1, "entropy": -0.4089882482158522, "formula": "", "nsites": null, "phase": "SI5U3_C32", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.375 }, { "collinear": false, "degenerate": [], "energy": -40836.25649580553, "energy_per_atom": -40836.25649580553, "enthalpy": -40867.10222931796, "entries_at_x": 1, "entropy": -0.103457097140506, "formula": "", "nsites": null, "phase": "SIU_B27", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.489 }, { "collinear": false, "degenerate": [], "energy": -35122.97287298268, "energy_per_atom": -35122.97287298268, "enthalpy": -34522.402100448686, "entries_at_x": 1, "entropy": 2.0143242412678646, "formula": "", "nsites": null, "phase": "SI2U3_D5A", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.6000000000000001 }, { "collinear": false, "degenerate": [], "energy": -21965.107667888875, "energy_per_atom": -21965.107667888875, "enthalpy": -21310.352025357523, "entries_at_x": 1, "entropy": 2.1960611857499757, "formula": "", "nsites": null, "phase": "SIU3_D0C", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.75 }, { "collinear": false, "degenerate": [], "energy": 0.0, "energy_per_atom": 0.0, "enthalpy": 0.0, "entries_at_x": 1, "entropy": 0.0, "formula": "", "nsites": null, "phase": "ORTHORHOMBIC_A20", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 1.0 } ] } ], "mp_agreement": { "comparable": false, "comparable_note": "CALPHAD isotherms have no upstream stability flag to compare against", "max_abs_delta_energy_above_hull": 0.0, "only_mp_stable": [], "only_ours_stable": [], "stable_sets_match": true }, "provenance": { "assessment": "SiU-04Che-LB", "builder_version": 1, "engine": { "numpy": "2.5.1", "pycalphad": "0.11.2", "python": "3.13.15" }, "fit_tol": 1.0, "observed_at": "2026-09-03T01:01:26Z", "phase_families": {}, "sample_conditions": { "endpoint_tol": 1.0, "fit_samples": 65, "order_tol": 0.0001, "pressure_Pa": 101325.0, "redundant_tol": 1.0, "refine_tol": 1e-07, "step": 0.002, "temperature_K": 298.15 }, "source_path": "databases/sgte-binary/SiU-04Che-LB.tdb", "source_sha256": "84486566b19cb138031b465e37b18ece92a359534170a723ad939f5cd5611038" }, "reference": { "kind": "calphad_formation_T", "per": "mole_atoms", "temperature_K": 298.15, "units": "J/mol-atoms" }, "schema_version": 1, "system_id": "SI-U", "x_element": "U" }