{ "counts": { "above_hull": 0, "entries": 8, "intervals": 7, "vertices": 8 }, "elements": [ "SI", "U" ], "flags": [ "has_intermediate_phases" ], "isotherms": [ { "element_reference": { "SI": { "energy": -5608.211789317128, "phase": "DIAMOND_A4" }, "U": { "energy": -14967.130429283287, "phase": "ORTHORHOMBIC_A20" } }, "intervals": [ { "enthalpy": { "intercept": 0.0, "slope": -132214.3589907363 }, "entropy": { "intercept": 0.0, "slope": -4.248645506958837 }, "intercept": 0.0, "kind": "two_phase", "left": { "phase": "DIAMOND_A4", "x": 0.0 }, "mu_a_rel": 0.0, "mu_b_rel": -130947.62533283653, "right": { "phase": "SI3U_L12", "x": 0.25 }, "slope": -130947.62533283653, "x_hi": 0.25, "x_lo": 0.0 }, { "enthalpy": { "intercept": -2510.706320253448, "slope": -122171.53370972251 }, "entropy": { "intercept": 4.112193963660055, "slope": -20.69742136159906 }, "intercept": -3736.756950518764, "kind": "two_phase", "left": { "phase": "SI3U_L12", "x": 0.25 }, "mu_a_rel": -3736.756950518764, "mu_b_rel": -119737.35448128023, "right": { "phase": "SI2U_CC", "x": 0.3333333333333333 }, "slope": -116000.59753076147, "x_hi": 0.3333333333333333, "x_lo": 0.25 }, { "enthalpy": { "intercept": -34726.462846923445, "slope": -25524.264129712526 }, "entropy": { "intercept": -9.25450840441015, "slope": 19.40268574261156 }, "intercept": -31967.23116614829, "kind": "two_phase", "left": { "phase": "SI2U_CC", "x": 0.3333333333333333 }, "mu_a_rel": -31967.23116614829, "mu_b_rel": -63276.406050021185, "right": { "phase": "SI5U3_C32", "x": 0.375 }, "slope": -31309.174883872896, "x_hi": 0.375, "x_lo": 0.3333333333333333 }, { "enthalpy": { "intercept": -50416.68462904488, "slope": 16316.327289277979 }, "entropy": { "intercept": -2.2881947186702547, "slope": 0.8258492473051717 }, "intercept": -49734.459373673366, "kind": "two_phase", "left": { "phase": "SI5U3_C32", "x": 0.375 }, "mu_a_rel": -49734.459373673366, "mu_b_rel": -33664.359037479386, "right": { "phase": "SIU_B27", "x": 0.5 }, "slope": 16070.10033619398, "x_hi": 0.5, "x_lo": 0.375 }, { "enthalpy": { "intercept": -82844.04395429477, "slope": 81171.04593977776 }, "entropy": { "intercept": -19.443209020316324, "slope": 35.13587785059731 }, "intercept": -77047.0511848875, "kind": "two_phase", "left": { "phase": "SIU_B27", "x": 0.5 }, "mu_a_rel": -77047.0511848875, "mu_b_rel": -6351.767226265249, "right": { "phase": "SI2U3_D5A", "x": 0.6000000000000001 }, "slope": 70695.28395862225, "x_hi": 0.6000000000000001, "x_lo": 0.5 }, { "enthalpy": { "intercept": -82582.39396490877, "slope": 80734.96262413442 }, "entropy": { "intercept": 3.5888231750968718, "slope": -3.2508424750913436 }, "intercept": -83652.40159456388, "kind": "two_phase", "left": { "phase": "SI2U3_D5A", "x": 0.6000000000000001 }, "mu_a_rel": -83652.40159456388, "mu_b_rel": -1948.2002864810056, "right": { "phase": "SIU3", "x": 0.75 }, "slope": 81704.20130808288, "x_hi": 0.75, "x_lo": 0.6000000000000001 }, { "enthalpy": { "intercept": -88124.68798723181, "slope": 88124.68798723181 }, "entropy": { "intercept": 4.602765275113455, "slope": -4.602765275113455 }, "intercept": -89497.00245400688, "kind": "two_phase", "left": { "phase": "SIU3", "x": 0.75 }, "mu_a_rel": -89497.00245400688, "mu_b_rel": 0.0, "right": { "phase": "ORTHORHOMBIC_A20", "x": 1.0 }, "slope": 89497.00245400688, "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": -32736.906333209132, "energy_per_atom": -32736.906333209132, "enthalpy": -33053.58974768408, "entries_at_x": 1, "entropy": -1.0621613767397093, "formula": "", "nsites": null, "phase": "SI3U_L12", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.25 }, { "collinear": false, "degenerate": [], "energy": -42403.62279410592, "energy_per_atom": -42403.62279410592, "enthalpy": -43234.55089016095, "entries_at_x": 1, "entropy": -2.7869464902062973, "formula": "", "nsites": null, "phase": "SI2U_CC", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.3333333333333333 }, { "collinear": false, "degenerate": [], "energy": -43708.17174760062, "energy_per_atom": -43708.17174760062, "enthalpy": -44298.06189556564, "entries_at_x": 1, "entropy": -1.9785012509308153, "formula": "", "nsites": null, "phase": "SI5U3_C32", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.375 }, { "collinear": false, "degenerate": [], "energy": -41699.409205576376, "energy_per_atom": -41699.409205576376, "enthalpy": -42258.52098440589, "entries_at_x": 1, "entropy": -1.8752700950176688, "formula": "", "nsites": null, "phase": "SIU_B27", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.5 }, { "collinear": false, "degenerate": [], "energy": -34629.880809714145, "energy_per_atom": -34629.880809714145, "enthalpy": -34141.41639042811, "entries_at_x": 1, "entropy": 1.638317690042065, "formula": "", "nsites": null, "phase": "SI2U3_D5A", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.6000000000000001 }, { "collinear": false, "degenerate": [], "energy": -22374.25061350172, "energy_per_atom": -22374.25061350172, "enthalpy": -22031.171996807952, "entries_at_x": 1, "entropy": 1.1506913187783638, "formula": "", "nsites": null, "phase": "SIU3", "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-98AEA", "builder_version": 1, "engine": { "numpy": "2.5.1", "pycalphad": "0.11.2", "python": "3.13.15" }, "fit_tol": 1.0, "observed_at": "2026-09-03T01:01:29Z", "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-98AEA.tdb", "source_sha256": "ad20359bfb8262bf9f5c0d6705cba31e8dd0654d2d91e44a987d898df1edfd79" }, "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" }