{
  "counts": {
    "above_hull": 0,
    "entries": 6,
    "intervals": 5,
    "vertices": 6
  },
  "elements": [
    "N",
    "NB"
  ],
  "flags": [
    "gas_on_hull",
    "has_intermediate_phases",
    "solution_phases"
  ],
  "isotherms": [
    {
      "element_reference": {
        "N": {
          "energy": -28531.823725126447,
          "phase": "N2GAS"
        },
        "NB": {
          "energy": -10813.900618912363,
          "phase": "BCC_A2"
        }
      },
      "intervals": [
        {
          "enthalpy": {
            "intercept": 0.0,
            "slope": -226586.39949925506
          },
          "entropy": {
            "intercept": 0.0,
            "slope": -93.72189105711644
          },
          "intercept": 0.0,
          "kind": "two_phase",
          "left": {
            "phase": "N2GAS",
            "x": 0.0
          },
          "mu_a_rel": 0.0,
          "mu_b_rel": -198643.2176805758,
          "right": {
            "phase": "FCC_A1",
            "x": 0.5
          },
          "slope": -198643.2176805758,
          "x_hi": 0.5,
          "x_lo": 0.0
        },
        {
          "enthalpy": {
            "entropy_form": null,
            "hermite": [
              [
                -113293.19974962753,
                3656.682717386744,
                458.51988502910626,
                -24.319809122026527
              ]
            ],
            "knots": [
              0.5,
              0.5296927125709362
            ],
            "max_abs_error": 0.0870004343742039
          },
          "entropy": {
            "entropy_form": {
              "R": 8.31446261815324,
              "kind": "ideal_mixing_entropy"
            },
            "hermite": [
              [
                -52.6240918502022,
                0.3104686234652348,
                -0.058084158352198656,
                0.01664612340384214
              ],
              [
                -52.35506126168531,
                0.4089268400580793,
                -0.025832386890492443,
                0.004900459038502503
              ],
              [
                -51.96706634947921,
                0.5952659739509727,
                -0.027889108828844655,
                0.004543881629444968
              ],
              [
                -51.395145602727624,
                0.5531345544311251,
                -0.014631788375993326,
                0.0015744663363789213
              ],
              [
                -50.85506837033612,
                0.5285988494880199,
                -0.009840785074970881,
                0.0007949613605831019
              ],
              [
                -50.3355153445625,
                0.5113040442922453,
                -0.0073797049656434965,
                0.00047872017751166007
              ],
              [
                -49.83111228505839,
                0.4979817604343851,
                -0.005884240225327686,
                0.0003196431801769095
              ],
              [
                -49.338695121669154,
                0.4871727800057215,
                -0.004880687801772865,
                0.00022885224093727174
              ],
              [
                -48.85617417722426,
                0.47809587229702266,
                -0.0041568293909022835,
                0.00016966077739649643
              ]
            ],
            "knots": [
              0.5,
              0.501391831497329,
              0.5037115760908593,
              0.5074231674405076,
              0.511134758790156,
              0.5148463501398044,
              0.5185579414894528,
              0.5222695328391012,
              0.5259811241887495,
              0.5296927125709362
            ],
            "max_abs_error": 0.0004932444259750923
          },
          "entropy_form": {
            "RT": 2478.957029602388,
            "kind": "ideal_mixing"
          },
          "hermite": [
            [
              -97603.32676448974,
              78.8390083730763,
              18.326637793886547,
              -4.964596471488548
            ],
            [
              -97511.12571479427,
              167.1120523956051,
              10.48313363784115,
              -1.4718294081686167
            ],
            [
              -97335.00235816903,
              293.823470262927,
              15.33971017628204,
              -1.4025908223702004
            ],
            [
              -97027.2417685522,
              320.2903469541343,
              11.234606636920944,
              -0.5161645928164944
            ],
            [
              -96696.23297955393,
              341.2096630259184,
              9.65726371289935,
              -0.282290557224826
            ],
            [
              -96345.6483433723,
              359.6766870645806,
              8.779298491717782,
              -0.1867486963456031
            ],
            [
              -95977.3791065124,
              376.67474234994734,
              8.1930008380441,
              -0.13802706691785716
            ],
            [
              -95592.6493903913,
              392.64662261580816,
              7.75250031275209,
              -0.10477624961640686
            ],
            [
              -95192.35504371236,
              407.81105637639007,
              7.452654188504255,
              -0.1128022500833481
            ]
          ],
          "kind": "single_phase",
          "knots": [
            0.5,
            0.501391831497329,
            0.5037115760908593,
            0.5074231674405076,
            0.511134758790156,
            0.5148463501398044,
            0.5185579414894528,
            0.5222695328391012,
            0.5259811241887495,
            0.5296927125709362
          ],
          "max_abs_error": 0.14710689554340206,
          "phase": "FCC_A1",
          "x_hi": 0.5296927125709362,
          "x_lo": 0.5
        },
        {
          "enthalpy": {
            "intercept": -183532.66023516603,
            "slope": 140327.29073817123
          },
          "entropy": {
            "intercept": -89.23978196064449,
            "slope": 87.98722742797028
          },
          "intercept": -156925.8192436,
          "kind": "two_phase",
          "left": {
            "phase": "FCC_A1",
            "x": 0.5296927125709362
          },
          "mu_a_rel": -156925.8192436,
          "mu_b_rel": -42831.92036307795,
          "right": {
            "phase": "HCP_A3",
            "x": 0.6666666666666666
          },
          "slope": 114093.89888052206,
          "x_hi": 0.6666666666666666,
          "x_lo": 0.5296927125709362
        },
        {
          "enthalpy": {
            "entropy_form": null,
            "hermite": [
              [
                -89981.13307638523,
                11.73003485765372,
                3.539127590101998e-06,
                -1.760301472586434e-06
              ]
            ],
            "knots": [
              0.6666666666666666,
              0.6667057741671273
            ],
            "max_abs_error": 2.5253393687307835e-07
          },
          "entropy": {
            "entropy_form": {
              "R": 8.31446261815324,
              "kind": "ideal_mixing_entropy"
            },
            "hermite": [
              [
                -35.873903600209765,
                0.010602546591975754,
                -0.00424525534157868,
                0.0018787450145852595
              ]
            ],
            "knots": [
              0.6666666666666666,
              0.6667057741671273
            ],
            "max_abs_error": 0.00021013439132389067
          },
          "entropy_form": {
            "RT": 2478.957029602388,
            "kind": "ideal_mixing"
          },
          "hermite": [
            [
              -79285.32871798269,
              8.568885591442163,
              1.2657264191298125,
              -0.5601495864616552
            ]
          ],
          "kind": "single_phase",
          "knots": [
            0.6666666666666666,
            0.6667057741671273
          ],
          "max_abs_error": 0.06265181920025498,
          "phase": "HCP_A3",
          "x_hi": 0.6667057741671273,
          "x_lo": 0.6666666666666666
        },
        {
          "enthalpy": {
            "intercept": -269939.8791410896,
            "slope": 269939.8791410896
          },
          "entropy": {
            "intercept": -91.73162133304632,
            "slope": 91.73162133304632
          },
          "intercept": -242590.0962406419,
          "kind": "two_phase",
          "left": {
            "phase": "HCP_A3",
            "x": 0.6667057741671273
          },
          "mu_a_rel": -242590.0962406419,
          "mu_b_rel": 0.0,
          "right": {
            "phase": "BCC_A2",
            "x": 1.0
          },
          "slope": 242590.0962406419,
          "x_hi": 1.0,
          "x_lo": 0.6667057741671273
        }
      ],
      "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": "N2GAS",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.0
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -99321.6088402879,
          "energy_per_atom": -99321.6088402879,
          "enthalpy": -113293.19974962753,
          "entries_at_x": 1,
          "entropy": -46.86094552855822,
          "formula": "",
          "nsites": null,
          "phase": "FCC_A1",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.5
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -96491.11245778218,
          "energy_per_atom": -96491.11245778218,
          "enthalpy": -109202.31695633371,
          "entries_at_x": 1,
          "entropy": -42.63358879272704,
          "formula": "",
          "nsites": null,
          "phase": "FCC_A1",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.5296927125709362
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -80863.21998991864,
          "energy_per_atom": -80863.21998991864,
          "enthalpy": -89981.13307638523,
          "entries_at_x": 1,
          "entropy": -30.581630341997645,
          "formula": "",
          "nsites": null,
          "phase": "HCP_A3",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.6666666666666666
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -80853.87832124683,
          "energy_per_atom": -80853.87832124683,
          "enthalpy": -89969.4030397487,
          "entries_at_x": 1,
          "entropy": -30.573619716591907,
          "formula": "",
          "nsites": null,
          "phase": "HCP_A3",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.6667057741671273
        },
        {
          "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": 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": "NbN-96Hua-LB",
    "builder_version": 1,
    "engine": {
      "numpy": "2.5.1",
      "pycalphad": "0.11.2",
      "python": "3.13.15"
    },
    "fit_tol": 1.0,
    "observed_at": "2026-09-03T00:50:55Z",
    "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/NbN-96Hua-LB.tdb",
    "source_sha256": "e10e5bfc05a45030aeedd95c24af2e0910637b0af80e084b0a75d0e93c2b3ecf"
  },
  "reference": {
    "kind": "calphad_formation_T",
    "per": "mole_atoms",
    "temperature_K": 298.15,
    "units": "J/mol-atoms"
  },
  "schema_version": 1,
  "system_id": "N-NB",
  "x_element": "NB"
}
