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=12154",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12152",
"results": [
{
"id": "mp-2491",
"created_at": "2022-09-04T14:47:11.246434Z",
"structure_string": "Er1 Se1\n1.0\n0.000000 2.854422 2.854422\n2.854422 0.000000 2.854422\n2.854422 2.854422 0.000000\nEr Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Se"
],
"chemical_system": "Er-Se",
"density": 8.789944340091424,
"density_atomic": 0.042997723251973916,
"volume": 46.51409071777272,
"volume_molar": 14.005720081291837,
"formula_full": "Er1 Se1",
"formula_reduced": "ErSe",
"formula_anonymous": "AB",
"energy": -11.9100286,
"energy_per_atom": -5.9550143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.4380286,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004711,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.695000Z",
"spacegroup": 225
},
{
"id": "mp-23907",
"created_at": "2022-09-04T14:47:07.909560Z",
"structure_string": "H2\n1.0\n1.950199 -3.377844 0.000000\n1.950199 3.377844 0.000000\n0.000000 0.000000 6.355691\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.03997628985771613,
"density_atomic": 0.023884640421942032,
"volume": 83.73582204581426,
"volume_molar": 25.213445350710234,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -2.23482046,
"energy_per_atom": -1.11741023,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.23482046,
"band_gap": 7.4848,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.863000Z",
"spacegroup": 194
},
{
"id": "mp-1008926",
"created_at": "2022-09-04T14:47:26.761765Z",
"structure_string": "Cr1 Te1\n1.0\n0.000000 3.121830 3.121830\n3.121830 0.000000 3.121830\n3.121830 3.121830 0.000000\nCr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 4.9010400794701905,
"density_atomic": 0.03286792223124082,
"volume": 60.84960241566498,
"volume_molar": 18.32224354685853,
"formula_full": "Cr1 Te1",
"formula_reduced": "CrTe",
"formula_anonymous": "AB",
"energy": -12.9713547,
"energy_per_atom": -6.48567735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.5493547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.313000Z",
"spacegroup": 216
},
{
"id": "mp-1097924",
"created_at": "2022-09-04T14:47:28.084813Z",
"structure_string": "Mg1 Sb1\n1.0\n1.848186 -3.201151 0.000000\n1.848186 3.201151 0.000000\n0.000000 0.000000 4.338052\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.7251834545817735,
"density_atomic": 0.03896309162379515,
"volume": 51.33062897859419,
"volume_molar": 15.456013650421463,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy": -6.07080889,
"energy_per_atom": -3.035404445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.87880889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.245000Z",
"spacegroup": 187
},
{
"id": "mp-1215470",
"created_at": "2022-09-04T14:45:30.796314Z",
"structure_string": "Yb1 Eu1\n1.0\n2.161735 -3.071515 0.000000\n2.161735 3.071515 0.000000\n0.000000 0.000000 6.111062\nYb Eu\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Eu"
],
"chemical_system": "Eu-Yb",
"density": 6.650220162249936,
"density_atomic": 0.024644965548669604,
"volume": 81.15247700591591,
"volume_molar": 24.435581977614454,
"formula_full": "Yb1 Eu1",
"formula_reduced": "YbEu",
"formula_anonymous": "AB",
"energy": -11.78163733,
"energy_per_atom": -5.890818665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.78163733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.209994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.658000Z",
"spacegroup": 65
},
{
"id": "mp-1009822",
"created_at": "2022-09-04T14:45:31.172473Z",
"structure_string": "Sn1 C1\n1.0\n0.000000 2.395054 2.395054\n2.395054 0.000000 2.395054\n2.395054 2.395054 0.000000\nSn C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"C"
],
"chemical_system": "C-Sn",
"density": 7.899826216485075,
"density_atomic": 0.07278704210068011,
"volume": 27.477418264003234,
"volume_molar": 8.273644025361117,
"formula_full": "Sn1 C1",
"formula_reduced": "SnC",
"formula_anonymous": "AB",
"energy": -10.64718687,
"energy_per_atom": -5.323593435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.64718687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.109000Z",
"spacegroup": 225
},
{
"id": "mp-10652",
"created_at": "2022-09-04T14:45:27.402004Z",
"structure_string": "Sm1 Te1\n1.0\n3.845178 0.000000 0.000000\n0.000000 3.845178 0.000000\n0.000000 0.000000 3.845178\nSm Te\n1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"Te"
],
"chemical_system": "Sm-Te",
"density": 8.11861700179281,
"density_atomic": 0.03517876987927854,
"volume": 56.85247115983059,
"volume_molar": 17.118679193917014,
"formula_full": "Sm1 Te1",
"formula_reduced": "SmTe",
"formula_anonymous": "AB",
"energy": -10.83514674,
"energy_per_atom": -5.41757337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.41314674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5781336,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.300000Z",
"spacegroup": 221
},
{
"id": "mp-933",
"created_at": "2022-09-04T14:45:36.231900Z",
"structure_string": "Y1 As1\n1.0\n0.000000 2.918152 2.918152\n2.918152 0.000000 2.918152\n2.918152 2.918152 0.000000\nY As\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"As"
],
"chemical_system": "As-Y",
"density": 5.473713276844123,
"density_atomic": 0.04024169556985429,
"volume": 49.699695096799864,
"volume_molar": 14.964927980100532,
"formula_full": "Y1 As1",
"formula_reduced": "YAs",
"formula_anonymous": "AB",
"energy": -14.2223729,
"energy_per_atom": -7.11118645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.2223729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038508,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.157000Z",
"spacegroup": 225
},
{
"id": "mp-12983",
"created_at": "2022-09-04T14:45:29.007902Z",
"structure_string": "Sc1 Sb1\n1.0\n3.629322 0.000000 0.000000\n0.000000 3.629322 0.000000\n0.000000 0.000000 3.629322\nSc Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Sb"
],
"chemical_system": "Sb-Sc",
"density": 5.790947745252445,
"density_atomic": 0.04183632149973365,
"volume": 47.8053501910471,
"volume_molar": 14.394527396578926,
"formula_full": "Sc1 Sb1",
"formula_reduced": "ScSb",
"formula_anonymous": "AB",
"energy": -11.88003304,
"energy_per_atom": -5.94001652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.68803304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.541000Z",
"spacegroup": 221
},
{
"id": "mp-1180106",
"created_at": "2022-09-04T14:45:36.222085Z",
"structure_string": "Na1 S1\n1.0\n5.713813 5.324788 0.000000\n-5.713813 5.324788 0.000000\n0.000000 1.730208 4.974654\nNa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"S"
],
"chemical_system": "Na-S",
"density": 0.30201104396961054,
"density_atomic": 0.006607067988018153,
"volume": 302.7061328303233,
"volume_molar": 91.14694704097322,
"formula_full": "Na1 S1",
"formula_reduced": "NaS",
"formula_anonymous": "AB",
"energy": -5.60360961,
"energy_per_atom": -2.801804805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.10060961,
"band_gap": 0.3533999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.206000Z",
"spacegroup": 12
},
{
"id": "mp-1179681",
"created_at": "2022-09-04T14:45:35.820247Z",
"structure_string": "Rb1 S1\n1.0\n5.075838 1.079849 3.402189\n-1.615877 1.768738 1.870539\n-3.184951 -2.992447 0.060155\nRb S\n1 1\ndirect\n0.747820 0.004288 0.495086 Rb\n0.247836 0.507424 0.496016 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"S"
],
"chemical_system": "Rb-S",
"density": 3.351071088942225,
"density_atomic": 0.03434040846699909,
"volume": 58.24042547199132,
"volume_molar": 17.53660200573106,
"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy": -6.56607056,
"energy_per_atom": -3.28303528,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.06307056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.475000Z",
"spacegroup": 123
},
{
"id": "mp-286",
"created_at": "2022-09-04T14:45:28.939797Z",
"structure_string": "Yb1 Se1\n1.0\n0.000000 2.957919 2.957919\n2.957919 0.000000 2.957919\n2.957919 2.957919 0.000000\nYb Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Se"
],
"chemical_system": "Se-Yb",
"density": 8.084642334388915,
"density_atomic": 0.03864036043553188,
"volume": 51.75935155513956,
"volume_molar": 15.585105035568766,
"formula_full": "Yb1 Se1",
"formula_reduced": "YbSe",
"formula_anonymous": "AB",
"energy": -9.67905931,
"energy_per_atom": -4.839529655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.20705931,
"band_gap": 1.9621,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016481,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.760000Z",
"spacegroup": 225
}
]
}