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=-density&page=12190",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12188",
"results": [
{
"id": "mp-1212104",
"created_at": "2022-09-04T14:44:28.247650Z",
"structure_string": "Na3 Ti1 O6\n1.0\n4.430185 -6.546645 0.000000\n4.430185 6.546645 0.000000\n0.000000 0.000000 39.836830\nNa Ti O\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.235234 O\n0.000000 0.000000 0.764766 O\n0.244211 0.039637 0.000000 O\n0.755789 0.960363 0.000000 O\n0.039637 0.244211 0.000000 O\n0.960363 0.755789 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 0.15294385985982095,
"density_atomic": 0.004327574751641382,
"volume": 2310.763088773257,
"volume_molar": 139.1574058360493,
"formula_full": "Na3 Ti1 O6",
"formula_reduced": "Na3TiO6",
"formula_anonymous": "AB3C6",
"energy": -47.55118304,
"energy_per_atom": -4.755118304,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.42918304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0003424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.725000Z",
"spacegroup": 65
},
{
"id": "mp-1207348",
"created_at": "2022-09-04T14:43:42.978695Z",
"structure_string": "Ni1 Cl6\n1.0\n5.036866 -6.471699 0.000000\n5.036866 6.471699 0.000000\n0.000000 0.000000 45.248164\nNi Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.249972 Cl\n0.000000 0.000000 0.750028 Cl\n0.263735 0.030901 0.000000 Cl\n0.736265 0.969099 0.000000 Cl\n0.030901 0.263735 0.000000 Cl\n0.969099 0.736265 0.000000 Cl\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ni",
"Cl"
],
"chemical_system": "Cl-Ni",
"density": 0.1527803561560966,
"density_atomic": 0.0023729488419315867,
"volume": 2949.9161028275607,
"volume_molar": 253.78300002026006,
"formula_full": "Ni1 Cl6",
"formula_reduced": "NiCl6",
"formula_anonymous": "AB6",
"energy": -18.12579201,
"energy_per_atom": -2.5893988585714287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.44179201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.517000Z",
"spacegroup": 65
},
{
"id": "mp-1093909",
"created_at": "2022-09-04T14:40:55.988763Z",
"structure_string": "Sr1 Ca1 Mg2\n1.0\n-6.744167 7.470960 9.536885\n6.744167 -7.470960 9.536885\n6.744167 7.470960 -9.536885\nSr Ca Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.753724 0.000000 0.753724 Mg\n0.246276 0.000000 0.246276 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Sr",
"density": 0.1523175173025896,
"density_atomic": 0.0020810797688747456,
"volume": 1922.0791340270575,
"volume_molar": 289.37577742424617,
"formula_full": "Sr1 Ca1 Mg2",
"formula_reduced": "SrCaMg2",
"formula_anonymous": "ABC2",
"energy": -1.16138882,
"energy_per_atom": -0.290347205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.16138882,
"band_gap": 0.0525999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.038000Z",
"spacegroup": 71
},
{
"id": "mp-1100389",
"created_at": "2022-09-04T14:45:18.224811Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n10.040271 17.248054 0.000000\n-10.040271 17.248054 0.000000\n0.000000 9.442268 16.122195\nCa Sn S\n2 2 6\ndirect\n0.735478 0.764623 0.245852 Ca\n0.235377 0.264522 0.754148 Ca\n0.500002 0.499998 0.000000 Sn\n0.999997 0.000003 0.500000 Sn\n0.034556 0.982779 0.942788 S\n0.017221 0.965444 0.057212 S\n0.482765 0.534729 0.541184 S\n0.465271 0.517235 0.458816 S\n0.256085 0.243954 0.315950 S\n0.756046 0.743915 0.684050 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 0.1516528638117836,
"density_atomic": 0.0017908544743125607,
"volume": 5583.926635824841,
"volume_molar": 336.2719219445045,
"formula_full": "Ca2 Sn2 S6",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy": -21.996252150000004,
"energy_per_atom": -2.199625215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.97825215,
"band_gap": 0.0442,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.5698615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.648000Z",
"spacegroup": 5
},
{
"id": "mp-1056027",
"created_at": "2022-09-04T14:41:05.189102Z",
"structure_string": "K1\n1.0\n10.140925 0.000000 0.000000\n0.000000 10.140925 0.000000\n0.000000 0.000000 4.220114\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.14959864075994236,
"density_atomic": 0.0023042026698664123,
"volume": 433.98960216376094,
"volume_molar": 261.35464726065686,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -0.61416936,
"energy_per_atom": -0.61416936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.61416936,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.92e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.210000Z",
"spacegroup": 123
},
{
"id": "mp-1097263",
"created_at": "2022-09-04T14:40:04.674921Z",
"structure_string": "Cs2 Rb1 Na1\n1.0\n-9.003587 9.034610 12.769176\n9.003587 -9.034610 12.769176\n9.003587 9.034610 -12.769176\nCs Rb Na\n2 1 1\ndirect\n0.229629 0.000000 0.229629 Cs\n0.770371 0.000000 0.770371 Cs\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Rb",
"Na"
],
"chemical_system": "Cs-Na-Rb",
"density": 0.14958377980745732,
"density_atomic": 0.0009627469504032807,
"volume": 4154.778156736262,
"volume_molar": 625.5164721609777,
"formula_full": "Cs2 Rb1 Na1",
"formula_reduced": "Cs2RbNa",
"formula_anonymous": "ABC2",
"energy": -2.04388011,
"energy_per_atom": -0.5109700275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.04388011,
"band_gap": 0.1241000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.9219938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.887000Z",
"spacegroup": 71
},
{
"id": "mp-850274",
"created_at": "2022-09-04T14:41:05.696555Z",
"structure_string": "H2\n1.0\n-1.820480 1.820480 1.719522\n1.820480 -1.820480 1.719522\n1.820480 1.820480 -1.719522\nH\n2\ndirect\n0.109061 0.109061 0.000000 H\n0.890939 0.890939 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1468500914916668,
"density_atomic": 0.08773854811668441,
"volume": 22.794997671265076,
"volume_molar": 6.8637342300115245,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.77839157,
"energy_per_atom": -3.389195785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.77839157,
"band_gap": 8.5338,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.080000Z",
"spacegroup": 139
},
{
"id": "mp-1207331",
"created_at": "2022-09-04T14:48:19.269942Z",
"structure_string": "Tb2 Se2 I2\n1.0\n12.167791 -0.000000 0.000000\n-0.000000 15.962122 0.000000\n0.000000 0.000000 42.796408\nTb Se I\n2 2 2\ndirect\n0.500000 0.500000 0.113811 Tb\n0.500000 0.500000 0.886189 Tb\n0.500000 0.500000 0.670433 Se\n0.500000 0.500000 0.329567 Se\n0.500000 0.500000 0.049366 I\n0.500000 0.500000 0.950634 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Se",
"I"
],
"chemical_system": "I-Se-Tb",
"density": 0.14575119252693083,
"density_atomic": 0.0007218410296962484,
"volume": 8312.079465093315,
"volume_molar": 834.275209118291,
"formula_full": "Tb2 Se2 I2",
"formula_reduced": "TbSeI",
"formula_anonymous": "ABC",
"energy": -13.009646189999998,
"energy_per_atom": -2.168274365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.30764619,
"band_gap": 0.0781999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.7144899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:04.775000Z",
"spacegroup": 47
},
{
"id": "mp-1093696",
"created_at": "2022-09-04T14:43:24.159198Z",
"structure_string": "Ca2 Mg1 Al1\n1.0\n-6.396529 6.445862 9.091876\n6.396529 -6.445862 9.091876\n6.396529 6.445862 -9.091876\nCa Mg Al\n2 1 1\ndirect\n0.000000 0.270558 0.270558 Ca\n0.000000 0.729442 0.729442 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Al"
],
"chemical_system": "Al-Ca-Mg",
"density": 0.14556137983054152,
"density_atomic": 0.0026676025225893718,
"volume": 1499.4737657232777,
"volume_molar": 225.75105207782104,
"formula_full": "Ca2 Mg1 Al1",
"formula_reduced": "Ca2MgAl",
"formula_anonymous": "ABC2",
"energy": -3.26167003,
"energy_per_atom": -0.8154175075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.26167003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0000486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.429000Z",
"spacegroup": 71
},
{
"id": "mp-1093922",
"created_at": "2022-09-04T14:44:21.931745Z",
"structure_string": "Cs1 K1 Na2\n1.0\n-7.476020 8.006771 10.619343\n7.476020 -8.006771 10.619343\n7.476020 8.006771 -10.619343\nCs K Na\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 K\n0.761787 0.000000 0.761787 Na\n0.238213 0.000000 0.238213 Na\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"K",
"Na"
],
"chemical_system": "Cs-K-Na",
"density": 0.14235961325915328,
"density_atomic": 0.0015731657744461251,
"volume": 2542.6436711085366,
"volume_molar": 382.8039522484688,
"formula_full": "Cs1 K1 Na2",
"formula_reduced": "CsKNa2",
"formula_anonymous": "ABC2",
"energy": -2.66596352,
"energy_per_atom": -0.66649088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.66596352,
"band_gap": 0.3308999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.051000Z",
"spacegroup": 71
},
{
"id": "mp-632291",
"created_at": "2022-09-04T14:40:34.559165Z",
"structure_string": "H2\n1.0\n-1.690471 1.690471 2.060270\n1.690471 -1.690471 2.060270\n1.690471 1.690471 -2.060270\nH\n2\ndirect\n0.908965 0.908965 0.000000 H\n0.091035 0.091035 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1421393070441629,
"density_atomic": 0.08492399496444408,
"volume": 23.55047005074783,
"volume_molar": 7.091212280488389,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.78267972,
"energy_per_atom": -3.39133986,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.78267972,
"band_gap": 8.8499,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.514000Z",
"spacegroup": 139
},
{
"id": "mp-1247881",
"created_at": "2022-09-04T14:46:16.248352Z",
"structure_string": "Ba1 Cu6 P2\n1.0\n15.164600 0.000000 0.000000\n0.000000 15.164600 0.000000\n0.000000 0.000000 29.653542\nBa Cu P\n1 6 2\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.696152 Cu\n0.000000 0.500000 0.303848 Cu\n-0.000000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.696152 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.303848 Cu\n0.500000 0.500000 0.426546 P\n0.500000 0.500000 0.573454 P\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"P"
],
"chemical_system": "Ba-Cu-P",
"density": 0.14136784074815095,
"density_atomic": 0.001319787513610356,
"volume": 6819.279548553974,
"volume_molar": 456.2962369242365,
"formula_full": "Ba1 Cu6 P2",
"formula_reduced": "Ba(Cu3P)2",
"formula_anonymous": "AB2C6",
"energy": -11.59121438,
"energy_per_atom": -1.2879127088888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.59121438,
"band_gap": 0.0394000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9934374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.201000Z",
"spacegroup": 123
}
]
}