HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=65",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=63",
"results": [
{
"id": "mp-1009819",
"created_at": "2022-09-04T14:45:42.440614Z",
"structure_string": "Sr1 O1\n1.0\n3.141704 0.000000 0.000000\n0.000000 3.141704 0.000000\n0.000000 0.000000 3.141704\nSr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"O"
],
"chemical_system": "O-Sr",
"density": 5.5487400052132445,
"density_atomic": 0.06449621087090815,
"volume": 31.009573632210476,
"volume_molar": 9.337200866037797,
"formula_full": "Sr1 O1",
"formula_reduced": "SrO",
"formula_anonymous": "AB",
"energy": -11.96087841,
"energy_per_atom": -5.980439205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.27387841,
"band_gap": 2.7425999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.414000Z",
"spacegroup": 221
},
{
"id": "mp-21391",
"created_at": "2022-09-04T14:45:43.026657Z",
"structure_string": "In1 As1\n1.0\n0.000000 2.877304 2.877304\n2.877304 0.000000 2.877304\n2.877304 2.877304 0.000000\nIn As\n1 1\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"As"
],
"chemical_system": "As-In",
"density": 6.613324516446396,
"density_atomic": 0.04198003067716204,
"volume": 47.64169934463719,
"volume_molar": 14.345250974950245,
"formula_full": "In1 As1",
"formula_reduced": "InAs",
"formula_anonymous": "AB",
"energy": -7.49249328,
"energy_per_atom": -3.74624664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.49249328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.315000Z",
"spacegroup": 225
},
{
"id": "mp-2226",
"created_at": "2022-09-04T14:45:52.770952Z",
"structure_string": "Dy1 Pd1\n1.0\n3.512349 0.000000 0.000000\n0.000000 3.512349 0.000000\n0.000000 0.000000 3.512349\nDy Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Pd"
],
"chemical_system": "Dy-Pd",
"density": 10.305740735495254,
"density_atomic": 0.04615693988298815,
"volume": 43.33042886010584,
"volume_molar": 13.047097089336187,
"formula_full": "Dy1 Pd1",
"formula_reduced": "DyPd",
"formula_anonymous": "AB",
"energy": -11.57772531,
"energy_per_atom": -5.788862655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.57772531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022956,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.445000Z",
"spacegroup": 221
},
{
"id": "mp-7245",
"created_at": "2022-09-04T14:45:52.698538Z",
"structure_string": "P2\n1.0\n-1.713534 1.861032 2.520878\n1.713534 -1.861032 2.520878\n1.713534 1.861032 -2.520878\nP\n2\ndirect\n0.199318 0.750000 0.449318 P\n0.800682 0.250000 0.550682 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.1990031202063465,
"density_atomic": 0.06219731102802216,
"volume": 32.15573096237114,
"volume_molar": 9.682316904804464,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -10.63957907,
"energy_per_atom": -5.319789535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.63957907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.853000Z",
"spacegroup": 74
},
{
"id": "mp-1182980",
"created_at": "2022-09-04T14:45:58.000667Z",
"structure_string": "Ag1 I1\n1.0\n5.179415 -8.971011 0.000000\n5.179415 8.971011 0.000000\n0.000000 0.000000 7.883519\nAg I\n1 1\ndirect\n0.000000 0.000000 0.997507 Ag\n0.000000 0.000000 0.672493 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 0.5321381835694491,
"density_atomic": 0.0027299694179338564,
"volume": 732.608939448734,
"volume_molar": 220.5937077697296,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -3.65522895,
"energy_per_atom": -1.827614475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.27622895,
"band_gap": 1.8797,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.62e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.890000Z",
"spacegroup": 183
},
{
"id": "mp-1059528",
"created_at": "2022-09-04T14:45:42.295403Z",
"structure_string": "Pr2\n1.0\n1.856093 3.217114 0.000000\n-1.856093 3.217114 0.000000\n0.000000 2.158271 6.073481\nPr\n2\ndirect\n0.760648 0.760648 0.749613 Pr\n0.239352 0.239352 0.250387 Pr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.4517838455787135,
"density_atomic": 0.027573769404710156,
"volume": 72.53270202725201,
"volume_molar": 21.84010706556245,
"formula_full": "Pr2",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -9.54240858,
"energy_per_atom": -4.77120429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.54240858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.38e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.784000Z",
"spacegroup": 12
},
{
"id": "mp-1065811",
"created_at": "2022-09-04T14:45:58.360629Z",
"structure_string": "Sn1 O1\n1.0\n3.275201 0.000000 0.000000\n0.000000 3.275201 0.000000\n0.000000 0.000000 3.049904\nSn O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 6.83730437709922,
"density_atomic": 0.06113190229053785,
"volume": 32.71614206433038,
"volume_molar": 9.851060631777726,
"formula_full": "Sn1 O1",
"formula_reduced": "SnO",
"formula_anonymous": "AB",
"energy": -11.32805811,
"energy_per_atom": -5.664029055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.64105811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.85e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.890000Z",
"spacegroup": 123
},
{
"id": "mp-33088",
"created_at": "2022-09-04T14:45:58.183610Z",
"structure_string": "Zr1 O1\n1.0\n0.000000 2.513332 2.513332\n2.513332 0.000000 2.513332\n2.513332 2.513332 0.000000\nZr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.60736845212293,
"density_atomic": 0.062986926591653,
"volume": 31.752620872678666,
"volume_molar": 9.56093761970925,
"formula_full": "Zr1 O1",
"formula_reduced": "ZrO",
"formula_anonymous": "AB",
"energy": -18.45937198,
"energy_per_atom": -9.22968599,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.77237198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.946000Z",
"spacegroup": 216
},
{
"id": "mp-1009826",
"created_at": "2022-09-04T14:45:42.648033Z",
"structure_string": "Ta1 Co1\n1.0\n3.068399 0.000000 0.000000\n0.000000 3.068399 0.000000\n0.000000 0.000000 3.068399\nTa Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Co"
],
"chemical_system": "Co-Ta",
"density": 13.78826387741054,
"density_atomic": 0.06923002653250968,
"volume": 28.889198808277524,
"volume_molar": 8.698741083353575,
"formula_full": "Ta1 Co1",
"formula_reduced": "TaCo",
"formula_anonymous": "AB",
"energy": -19.20395919,
"energy_per_atom": -9.601979595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.20395919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7980299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.826000Z",
"spacegroup": 221
},
{
"id": "mp-64",
"created_at": "2022-09-04T14:45:43.133558Z",
"structure_string": "Ce2\n1.0\n1.593703 -3.086210 0.000000\n1.593703 3.086210 0.000000\n0.000000 0.000000 5.281438\nCe\n2\ndirect\n0.899037 0.100963 0.750000 Ce\n0.100963 0.899037 0.250000 Ce\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.95677733837446,
"density_atomic": 0.03849594186695973,
"volume": 51.95352816439487,
"volume_molar": 15.643572979230518,
"formula_full": "Ce2",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -11.78685384,
"energy_per_atom": -5.89342692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.78685384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.021575,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.128000Z",
"spacegroup": 63
},
{
"id": "mp-1215202",
"created_at": "2022-09-04T14:44:18.756161Z",
"structure_string": "Zr1 Nb1\n1.0\n1.720188 -2.439556 0.000000\n1.720188 2.439556 0.000000\n0.000000 0.000000 4.869488\nZr Nb\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Nb"
],
"chemical_system": "Nb-Zr",
"density": 7.481256512512194,
"density_atomic": 0.04893617207066488,
"volume": 40.869563665747236,
"volume_molar": 12.306113259745572,
"formula_full": "Zr1 Nb1",
"formula_reduced": "ZrNb",
"formula_anonymous": "AB",
"energy": -18.42734922,
"energy_per_atom": -9.21367461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.42734922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.158000Z",
"spacegroup": 65
},
{
"id": "mp-984827",
"created_at": "2022-09-04T14:44:15.074983Z",
"structure_string": "Ba1 Nd1\n1.0\n1.981659 -3.432334 0.000000\n1.981659 3.432334 0.000000\n0.000000 0.000000 6.583923\nBa Nd\n1 1\ndirect\n0.333333 0.666667 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Nd"
],
"chemical_system": "Ba-Nd",
"density": 5.2203633346370495,
"density_atomic": 0.02233041480446464,
"volume": 89.56394305761526,
"volume_molar": 26.9683336056792,
"formula_full": "Ba1 Nd1",
"formula_reduced": "BaNd",
"formula_anonymous": "AB",
"energy": -6.22454086,
"energy_per_atom": -3.11227043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.22454086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5151149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.740000Z",
"spacegroup": 187
}
]
}