{ "counts": { "above_hull": 0, "entries": 6, "intervals": 5, "vertices": 6 }, "elements": [ "MO", "SI" ], "flags": [ "has_intermediate_phases", "solution_phases" ], "isotherms": [ { "element_reference": { "MO": { "energy": -8515.141259563383, "phase": "BCC_A2" }, "SI": { "energy": -5608.211787237029, "phase": "DIAMOND_A4" } }, "intervals": [ { "enthalpy": { "intercept": 0.0, "slope": -111599.99952912057 }, "entropy": { "intercept": 0.0, "slope": 1.1200000168175848 }, "intercept": 0.0, "kind": "two_phase", "left": { "phase": "BCC_A2", "x": 0.0 }, "mu_a_rel": 0.0, "mu_b_rel": -111933.92753413472, "right": { "phase": "M3SI_A15", "x": 0.25 }, "slope": -111933.92753413472, "x_hi": 0.25, "x_lo": 0.0 }, { "enthalpy": { "intercept": -5739.999885022222, "slope": -88639.99998903168 }, "entropy": { "intercept": -1.8580000076054342, "slope": 8.552000047239321 }, "intercept": -5186.03718275463, "kind": "two_phase", "left": { "phase": "M3SI_A15", "x": 0.25 }, "mu_a_rel": -5186.03718275463, "mu_b_rel": -96375.81598587084, "right": { "phase": "M5SI3_D8M", "x": 0.3750000000001906 }, "slope": -91189.7788031162, "x_hi": 0.3750000000001906, "x_lo": 0.25 }, { "enthalpy": { "entropy_form": null, "hermite": [ [ -38979.999880926, -884.499813713632, 140.6431896979783, 0.0024699033521073943 ] ], "knots": [ 0.3750000000001906, 0.4033203115870341 ], "max_abs_error": 0.00030185333162080497 }, "entropy": { "entropy_form": { "R": 8.31446261815324, "kind": "ideal_mixing_entropy" }, "hermite": [ [ -4.1515428030988195, 0.04457446690941296, -0.027598525109567798, 0.007938342386523982 ], [ -4.126628518912448, 0.022873681637660886, -0.012038259198059816, 0.0023369493580326656 ], [ -4.113456147114815, 0.0093521782898798, -0.012581119846008421, 0.0021667883690728203 ], [ -4.114518300301872, -0.009302452916049036, -0.0062593459184343905, 0.0007507214218068006 ], [ -4.129329377714549, -0.019566843930077984, -0.003975004052952178, 0.00037897262130029766 ], [ -4.152492253076281, -0.026379034210161363, -0.0028017855933813868, 0.00022814737678721053 ], [ -4.181444925503035, -0.03129767398093456, -0.0020884648320243088, 0.00015161583146673652 ], [ -4.214679448484527, -0.03501856664657553, -0.0016104852357200564, 0.00010852518592464194 ], [ -4.251199975180898, -0.037913247781981914, -0.0012685204056492871, 8.205249411696869e-05 ] ], "knots": [ 0.3750000000001906, 0.37632749936834164, 0.37854002374673396, 0.38208006275216166, 0.3856201017575894, 0.3891601407630171, 0.39270017976844485, 0.39624021877387255, 0.39978025777930026, 0.4033203115870341 ], "max_abs_error": 0.00023522312222379327 }, "entropy_form": { "RT": 2478.957029602388, "kind": "ideal_mixing" }, "hermite": [ [ -37742.2173941821, -54.75033017977845, 8.537519405484097, -2.3668126918391934 ], [ -37790.79701764822, -74.89124113311023, 4.447640496789418, -0.6967614511116977 ], [ -37861.937379735646, -108.95561573280708, 5.948506922737138, -0.6459551773728123 ], [ -37965.590443723086, -98.99862390788155, 4.063790430240573, -0.2238145590802958 ], [ -38060.749091759804, -91.54312373921427, 3.382737261648174, -0.11299068688578018 ], [ -38149.022468924246, -85.11688960034833, 3.032973115257178, -0.06805196622487131 ], [ -38231.174437375565, -79.25519671338789, 2.8211498689697834, -0.0462137328058958 ], [ -38307.65469795279, -73.7505204070579, 2.678056844677144, -0.032737209992433236 ], [ -38378.759898725155, -68.49223396420041, 2.5748253727425947, -0.023874887504604203 ] ], "kind": "single_phase", "knots": [ 0.3750000000001906, 0.37632749936834164, 0.37854002374673396, 0.38208006275216166, 0.3856201017575894, 0.3891601407630171, 0.39270017976844485, 0.39624021877387255, 0.39978025777930026, 0.4033203115870341 ], "max_abs_error": 0.07013165268290322, "phase": "M5SI3_D8M", "x_hi": 0.4033203115870341, "x_lo": 0.3750000000001906 }, { "enthalpy": { "intercept": -31404.411941337385, "slope": -20627.381896449922 }, "entropy": { "intercept": 3.6741069969676827, "slope": -5.84566050022766 }, "intercept": -32499.846942483324, "kind": "two_phase", "left": { "phase": "M5SI3_D8M", "x": 0.4033203115870341 }, "mu_a_rel": -32499.846942483324, "mu_b_rel": -51384.34516079032, "right": { "phase": "MOSI2_C11B", "x": 0.6666666666666666 }, "slope": -18884.498218306995, "x_hi": 0.6666666666666666, "x_lo": 0.4033203115870341 }, { "enthalpy": { "intercept": -135467.99961691198, "slope": 135467.99961691198 }, "entropy": { "intercept": -0.6690000095522705, "slope": 0.6690000095522705 }, "intercept": -135268.53726406393, "kind": "two_phase", "left": { "phase": "MOSI2_C11B", "x": 0.6666666666666666 }, "mu_a_rel": -135268.53726406393, "mu_b_rel": 0.0, "right": { "phase": "DIAMOND_A4", "x": 1.0 }, "slope": 135268.53726406393, "x_hi": 1.0, "x_lo": 0.6666666666666666 } ], "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": "BCC_A2", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.0 }, { "collinear": false, "degenerate": [], "energy": -27983.48188353368, "energy_per_atom": -27983.48188353368, "enthalpy": -27899.999882280143, "entries_at_x": 1, "entropy": 0.2800000042043962, "formula": "", "nsites": null, "phase": "M3SI_A15", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.25 }, { "collinear": false, "degenerate": [], "energy": -39382.20423394059, "energy_per_atom": -39382.20423394059, "enthalpy": -38979.999880926, "entries_at_x": 1, "entropy": 1.3490000101109416, "formula": "", "nsites": null, "phase": "M5SI3_D8M", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.3750000000001906 }, { "collinear": false, "degenerate": [], "energy": -40116.34864805569, "energy_per_atom": -40116.34864805569, "enthalpy": -39723.85403503831, "entries_at_x": 1, "entropy": 1.3164333825838455, "formula": "", "nsites": null, "phase": "M5SI3_D8M", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.4033203115870341 }, { "collinear": false, "degenerate": [], "energy": -45089.51242135465, "energy_per_atom": -45089.51242135465, "enthalpy": -45155.999872304, "entries_at_x": 1, "entropy": -0.2230000031840902, "formula": "", "nsites": null, "phase": "MOSI2_C11B", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.6666666666666666 }, { "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": 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": "MoSi-00Liu", "builder_version": 1, "engine": { "numpy": "2.5.1", "pycalphad": "0.11.2", "python": "3.13.15" }, "fit_tol": 1.0, "observed_at": "2026-09-03T00:50:10Z", "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/MoSi-00Liu.tdb", "source_sha256": "1dbd5badc77a086616c5947a1127d2dfcad467bc7bbf665d5b16f2d436b915cc" }, "reference": { "kind": "calphad_formation_T", "per": "mole_atoms", "temperature_K": 298.15, "units": "J/mol-atoms" }, "schema_version": 1, "system_id": "MO-SI", "x_element": "SI" }