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=volume&page=36",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=34",
"results": [
{
"id": "mp-305",
"created_at": "2022-09-04T14:39:06.359803Z",
"structure_string": "Ti1 Fe1\n1.0\n2.959777 0.000000 0.000000\n0.000000 2.959777 0.000000\n0.000000 0.000000 2.959777\nTi Fe\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Fe"
],
"chemical_system": "Fe-Ti",
"density": 6.642034602201166,
"density_atomic": 0.07713527329734057,
"volume": 25.928474931182425,
"volume_molar": 7.8072462863855945,
"formula_full": "Ti1 Fe1",
"formula_reduced": "TiFe",
"formula_anonymous": "AB",
"energy": -17.20717353,
"energy_per_atom": -8.603586765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.20717353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001967,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.437000Z",
"spacegroup": 221
},
{
"id": "mp-1009218",
"created_at": "2022-09-04T14:39:29.072757Z",
"structure_string": "Mo1 C1\n1.0\n0.000000 2.349367 2.349367\n2.349367 0.000000 2.349367\n2.349367 2.349367 0.000000\nMo C\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"C"
],
"chemical_system": "C-Mo",
"density": 6.91181287686562,
"density_atomic": 0.07711651719840565,
"volume": 25.934781194207627,
"volume_molar": 7.809145146565962,
"formula_full": "Mo1 C1",
"formula_reduced": "MoC",
"formula_anonymous": "AB",
"energy": -19.07369106,
"energy_per_atom": -9.53684553,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.07369106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.435000Z",
"spacegroup": 216
},
{
"id": "mp-987",
"created_at": "2022-09-04T14:39:27.491233Z",
"structure_string": "Zn1 Cu1\n1.0\n2.960572 0.000000 0.000000\n0.000000 2.960572 0.000000\n0.000000 0.000000 2.960572\nZn Cu\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Cu"
],
"chemical_system": "Cu-Zn",
"density": 8.252022453086578,
"density_atomic": 0.07707315076474947,
"volume": 25.94937381118107,
"volume_molar": 7.813539086239503,
"formula_full": "Zn1 Cu1",
"formula_reduced": "ZnCu",
"formula_anonymous": "AB",
"energy": -5.54038593,
"energy_per_atom": -2.770192965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.54038593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001363,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.016000Z",
"spacegroup": 221
},
{
"id": "mp-2728",
"created_at": "2022-09-04T14:41:01.817563Z",
"structure_string": "Mn1 Ir1\n1.0\n2.662949 0.000000 0.000000\n0.000000 2.662949 0.000000\n0.000000 0.000000 3.664448\nMn Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ir"
],
"chemical_system": "Ir-Mn",
"density": 15.79371569526229,
"density_atomic": 0.07696543606719371,
"volume": 25.98569048909078,
"volume_molar": 7.824474293554895,
"formula_full": "Mn1 Ir1",
"formula_reduced": "MnIr",
"formula_anonymous": "AB",
"energy": -18.31591343,
"energy_per_atom": -9.157956715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.31591343,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2296382,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.912000Z",
"spacegroup": 123
},
{
"id": "mp-1226026",
"created_at": "2022-09-04T14:46:28.642943Z",
"structure_string": "Co1 Rh1\n1.0\n4.326352 -1.328621 0.000000\n4.326352 1.328621 0.000000\n3.918333 0.000000 2.264779\nCo Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Rh"
],
"chemical_system": "Co-Rh",
"density": 10.321734317534508,
"density_atomic": 0.0768159147217495,
"volume": 26.03627135398446,
"volume_molar": 7.83970454796251,
"formula_full": "Co1 Rh1",
"formula_reduced": "CoRh",
"formula_anonymous": "AB",
"energy": -14.30784539,
"energy_per_atom": -7.153922695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.30784539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4350738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.849000Z",
"spacegroup": 166
},
{
"id": "mp-1185872",
"created_at": "2022-09-04T14:42:14.019840Z",
"structure_string": "Mg1 H3\n1.0\n0.000000 2.352592 2.352592\n2.352592 0.000000 2.352592\n2.352592 2.352592 0.000000\nMg H\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 H\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.742609729080745,
"density_atomic": 0.15359962240442576,
"volume": 26.041730685170915,
"volume_molar": 3.9206741955027624,
"formula_full": "Mg1 H3",
"formula_reduced": "MgH3",
"formula_anonymous": "AB3",
"energy": -10.98644388,
"energy_per_atom": -2.74661097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.44944388,
"band_gap": 0.4103999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.469000Z",
"spacegroup": 225
},
{
"id": "mp-1002229",
"created_at": "2022-09-04T14:43:55.822421Z",
"structure_string": "Er1 N1\n1.0\n2.964162 0.000000 0.000000\n0.000000 2.964162 0.000000\n0.000000 0.000000 2.964162\nEr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"N"
],
"chemical_system": "Er-N",
"density": 11.557367516311183,
"density_atomic": 0.07679345184701777,
"volume": 26.0438872312219,
"volume_molar": 7.841997742199246,
"formula_full": "Er1 N1",
"formula_reduced": "ErN",
"formula_anonymous": "AB",
"energy": -14.90463796,
"energy_per_atom": -7.45231898,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.54363796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.066000Z",
"spacegroup": 221
},
{
"id": "mp-1008806",
"created_at": "2022-09-04T14:46:58.787767Z",
"structure_string": "Re1 C2\n1.0\n-1.390427 1.390427 3.368838\n1.390427 -1.390427 3.368838\n1.390427 1.390427 -3.368838\nRe C\n1 2\ndirect\n0.000000 0.000000 0.000000 Re\n0.666529 0.666529 0.000000 C\n0.333471 0.333471 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 13.399974714474334,
"density_atomic": 0.11515551743564463,
"volume": 26.051726107492577,
"volume_molar": 5.229572055342906,
"formula_full": "Re1 C2",
"formula_reduced": "ReC2",
"formula_anonymous": "AB2",
"energy": -26.35505247,
"energy_per_atom": -8.78501749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.35505247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.511000Z",
"spacegroup": 139
},
{
"id": "mp-1226170",
"created_at": "2022-09-04T14:40:21.448278Z",
"structure_string": "Cr1 Rh1\n1.0\n1.336479 -2.314849 0.000000\n1.336479 2.314849 0.000000\n0.000000 0.000000 4.219386\nCr Rh\n1 1\ndirect\n0.666667 0.333333 0.500000 Cr\n0.333333 0.666667 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Rh"
],
"chemical_system": "Cr-Rh",
"density": 9.85237519211128,
"density_atomic": 0.07660655570727504,
"volume": 26.10742620569309,
"volume_molar": 7.861129774599827,
"formula_full": "Cr1 Rh1",
"formula_reduced": "CrRh",
"formula_anonymous": "AB",
"energy": -17.00969968,
"energy_per_atom": -8.50484984,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.00969968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.949000Z",
"spacegroup": 187
},
{
"id": "mp-1008635",
"created_at": "2022-09-04T14:42:48.660577Z",
"structure_string": "W1 C1\n1.0\n0.000000 2.354692 2.354692\n2.354692 0.000000 2.354692\n2.354692 2.354692 0.000000\nW C\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"W",
"C"
],
"chemical_system": "C-W",
"density": 12.454947608219916,
"density_atomic": 0.07659451580315613,
"volume": 26.111530036169885,
"volume_molar": 7.8623654668391465,
"formula_full": "W1 C1",
"formula_reduced": "WC",
"formula_anonymous": "AB",
"energy": -21.08443661,
"energy_per_atom": -10.542218305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.08443661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001859,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.073000Z",
"spacegroup": 216
},
{
"id": "mp-20812",
"created_at": "2022-09-04T14:40:03.328203Z",
"structure_string": "In1 N1\n1.0\n0.000000 2.354721 2.354721\n2.354721 0.000000 2.354721\n2.354721 2.354721 0.000000\nIn N\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"N"
],
"chemical_system": "In-N",
"density": 8.192187253600032,
"density_atomic": 0.07659168589642538,
"volume": 26.112494803999898,
"volume_molar": 7.8626559652228005,
"formula_full": "In1 N1",
"formula_reduced": "InN",
"formula_anonymous": "AB",
"energy": -10.82418329,
"energy_per_atom": -5.412091645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.46318329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001913,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.800000Z",
"spacegroup": 225
},
{
"id": "mp-1215462",
"created_at": "2022-09-04T14:41:35.709588Z",
"structure_string": "Zn1 Cu1\n1.0\n1.488039 -2.121279 0.000000\n1.488039 2.121279 0.000000\n0.000000 0.000000 4.140746\nZn Cu\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Cu"
],
"chemical_system": "Cu-Zn",
"density": 8.191559501478206,
"density_atomic": 0.07650843221102684,
"volume": 26.140909468430443,
"volume_molar": 7.871211820665246,
"formula_full": "Zn1 Cu1",
"formula_reduced": "ZnCu",
"formula_anonymous": "AB",
"energy": -5.46384475,
"energy_per_atom": -2.731922375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.46384475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.371000Z",
"spacegroup": 65
}
]
}