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=-energy_uncorrected&page=1741",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=1739",
"results": [
{
"id": "mp-1206662",
"created_at": "2022-09-04T14:46:13.568985Z",
"structure_string": "Cs2 Ti1 I6\n1.0\n0.000000 5.930400 5.930400\n5.930400 0.000000 5.930400\n5.930400 5.930400 0.000000\nCs Ti I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Ti\n0.765820 0.234180 0.234180 I\n0.234180 0.765820 0.765820 I\n0.234180 0.765820 0.234180 I\n0.765820 0.234180 0.765820 I\n0.234180 0.234180 0.765820 I\n0.765820 0.765820 0.234180 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Ti",
"I"
],
"chemical_system": "Cs-I-Ti",
"density": 4.279745170559026,
"density_atomic": 0.02157548427158069,
"volume": 417.14011545292794,
"volume_molar": 27.91196102111315,
"formula_full": "Cs2 Ti1 I6",
"formula_reduced": "Cs2TiI6",
"formula_anonymous": "AB2C6",
"energy": -31.24629132,
"energy_per_atom": -3.471810146666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.97229132,
"band_gap": 0.8643000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.212000Z",
"spacegroup": 225
},
{
"id": "mp-1007656",
"created_at": "2022-09-04T14:39:43.896546Z",
"structure_string": "Hf1 Pd3\n1.0\n4.017255 0.000000 0.000000\n0.000000 4.017255 0.000000\n0.000000 0.000000 4.017255\nHf Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Pd"
],
"chemical_system": "Hf-Pd",
"density": 12.748883903567231,
"density_atomic": 0.061698100192234755,
"volume": 64.83181795771785,
"volume_molar": 9.760658336701814,
"formula_full": "Hf1 Pd3",
"formula_reduced": "HfPd3",
"formula_anonymous": "AB3",
"energy": -28.97274411,
"energy_per_atom": -7.2431860275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.97274411,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.102000Z",
"spacegroup": 221
},
{
"id": "mp-1180757",
"created_at": "2022-09-04T14:44:41.699957Z",
"structure_string": "K2 N4\n1.0\n1.575144 5.539005 0.000000\n-1.575144 5.539005 0.000000\n0.000000 0.000000 5.592986\nK N\n2 4\ndirect\n0.873773 0.873773 0.790332 K\n0.126227 0.126227 0.290332 K\n0.873788 0.873788 0.292992 N\n0.126212 0.126212 0.792992 N\n0.621568 0.621568 0.793677 N\n0.378432 0.378432 0.293677 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"N"
],
"chemical_system": "K-N",
"density": 2.2837659043978396,
"density_atomic": 0.06147881700474861,
"volume": 97.59459098792615,
"volume_molar": 9.795472739065312,
"formula_full": "K2 N4",
"formula_reduced": "KN2",
"formula_anonymous": "AB2",
"energy": -30.41926433,
"energy_per_atom": -5.0698773883333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.97526433,
"band_gap": 1.0346000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029534,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.334000Z",
"spacegroup": 63
},
{
"id": "mp-1186677",
"created_at": "2022-09-04T14:39:29.463900Z",
"structure_string": "Pm1 Y1 Rh2\n1.0\n0.000000 3.485485 3.485485\n3.485485 0.000000 3.485485\n3.485485 3.485485 0.000000\nPm Y Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Y",
"Rh"
],
"chemical_system": "Pm-Rh-Y",
"density": 8.62189154922538,
"density_atomic": 0.047232435641102154,
"volume": 84.68756577353294,
"volume_molar": 12.75001104274934,
"formula_full": "Pm1 Y1 Rh2",
"formula_reduced": "PmYRh2",
"formula_anonymous": "ABC2",
"energy": -28.97622111,
"energy_per_atom": -7.2440552775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.97622111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.344000Z",
"spacegroup": 225
},
{
"id": "mp-1112325",
"created_at": "2022-09-04T14:48:10.587970Z",
"structure_string": "Cs1 K2 As1 Br6\n1.0\n0.000000 6.021258 6.021258\n6.021258 0.000000 6.021258\n6.021258 6.021258 0.000000\nCs K As Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 As\n0.778931 0.221069 0.221069 Br\n0.221069 0.221069 0.778931 Br\n0.221069 0.778931 0.778931 Br\n0.221069 0.778931 0.221069 Br\n0.778931 0.221069 0.778931 Br\n0.778931 0.778931 0.221069 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"As",
"Br"
],
"chemical_system": "As-Br-Cs-K",
"density": 2.9112056666290056,
"density_atomic": 0.022903839692094936,
"volume": 436.6080157053935,
"volume_molar": 26.293149275221705,
"formula_full": "Cs1 K2 As1 Br6",
"formula_reduced": "CsK2AsBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.18273219,
"energy_per_atom": -3.2182732190000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.97873219,
"band_gap": 2.9226,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0027506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.659000Z",
"spacegroup": 225
},
{
"id": "mp-510564",
"created_at": "2022-09-04T14:47:18.569991Z",
"structure_string": "Nd1 In5 Rh1\n1.0\n4.734198 0.000000 0.000000\n0.000000 4.734198 0.000000\n0.000000 0.000000 7.688127\nNd In Rh\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.303427 In\n0.500000 0.000000 0.303427 In\n0.000000 0.500000 0.696573 In\n0.500000 0.000000 0.696573 In\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Nd",
"In",
"Rh"
],
"chemical_system": "In-Nd-Rh",
"density": 7.914153795686466,
"density_atomic": 0.04062418450115558,
"volume": 172.31115125033168,
"volume_molar": 14.82402867638782,
"formula_full": "Nd1 In5 Rh1",
"formula_reduced": "NdIn5Rh",
"formula_anonymous": "ABC5",
"energy": -28.97881853,
"energy_per_atom": -4.1398312185714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.97881853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0199231,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.629000Z",
"spacegroup": 123
},
{
"id": "mp-982321",
"created_at": "2022-09-04T14:45:57.674744Z",
"structure_string": "Yb6 W2\n1.0\n3.449271 -5.974313 0.000000\n3.449271 5.974313 0.000000\n0.000000 0.000000 5.279495\nYb W\n6 2\ndirect\n0.179213 0.358426 0.250000 Yb\n0.641574 0.820787 0.250000 Yb\n0.179213 0.820787 0.250000 Yb\n0.820787 0.641574 0.750000 Yb\n0.358426 0.179213 0.750000 Yb\n0.820787 0.179213 0.750000 Yb\n0.333333 0.666667 0.750000 W\n0.666667 0.333333 0.250000 W\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"W"
],
"chemical_system": "W-Yb",
"density": 10.729316063841951,
"density_atomic": 0.03676650257045317,
"volume": 217.5893664258693,
"volume_molar": 16.379422406197538,
"formula_full": "Yb6 W2",
"formula_reduced": "Yb3W",
"formula_anonymous": "AB3",
"energy": -28.97937261,
"energy_per_atom": -3.62242157625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.97937261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0504723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.582000Z",
"spacegroup": 194
},
{
"id": "mp-19870",
"created_at": "2022-09-04T14:47:40.621702Z",
"structure_string": "Ga1 Fe3\n1.0\n3.660504 0.000000 0.000000\n0.000000 3.660504 0.000000\n0.000000 0.000000 3.660504\nGa Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.032436580722118,
"density_atomic": 0.08155251035007999,
"volume": 49.0481529364237,
"volume_molar": 7.384372025028772,
"formula_full": "Ga1 Fe3",
"formula_reduced": "GaFe3",
"formula_anonymous": "AB3",
"energy": -28.97943014,
"energy_per_atom": -7.244857535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.97943014,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9763071,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.298000Z",
"spacegroup": 221
},
{
"id": "mp-1184311",
"created_at": "2022-09-04T14:45:54.759538Z",
"structure_string": "Fe3 Cu1\n1.0\n-1.810074 1.810074 3.606063\n1.810074 -1.810074 3.606063\n1.810074 1.810074 -3.606063\nFe Cu\n3 1\ndirect\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Cu"
],
"chemical_system": "Cu-Fe",
"density": 8.119464254662665,
"density_atomic": 0.08463968332189087,
"volume": 47.25915602481296,
"volume_molar": 7.115032244505643,
"formula_full": "Fe3 Cu1",
"formula_reduced": "Fe3Cu",
"formula_anonymous": "AB3",
"energy": -28.98017075,
"energy_per_atom": -7.2450426875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.98017075,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.5132762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.728000Z",
"spacegroup": 139
},
{
"id": "mp-865615",
"created_at": "2022-09-04T14:46:52.547873Z",
"structure_string": "Ga1 Si1 Ru2\n1.0\n0.000000 2.980417 2.980417\n2.980417 0.000000 2.980417\n2.980417 2.980417 0.000000\nGa Si Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Si",
"Ru"
],
"chemical_system": "Ga-Ru-Si",
"density": 9.406643833552693,
"density_atomic": 0.07554381270707033,
"volume": 52.94940587008035,
"volume_molar": 7.971719382699853,
"formula_full": "Ga1 Si1 Ru2",
"formula_reduced": "GaSiRu2",
"formula_anonymous": "ABC2",
"energy": -28.9804773,
"energy_per_atom": -7.245119325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.9804773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.111000Z",
"spacegroup": 225
},
{
"id": "mp-1028382",
"created_at": "2022-09-04T14:39:23.407837Z",
"structure_string": "Sr1 Mg14 Ni1\n1.0\n6.551962 0.189370 0.000000\n-3.111981 5.390109 0.000000\n0.000000 0.000000 10.379715\nSr Mg Ni\n1 14 1\ndirect\n0.123388 0.811693 0.125000 Sr\n0.157301 0.328650 0.625000 Mg\n0.169176 0.834588 0.625000 Mg\n0.613346 0.321047 0.125000 Mg\n0.662663 0.326755 0.625000 Mg\n0.613346 0.792299 0.125000 Mg\n0.662663 0.835908 0.625000 Mg\n0.345352 0.178717 0.379581 Mg\n0.345352 0.178717 0.870419 Mg\n0.345352 0.666636 0.379581 Mg\n0.345352 0.666636 0.870419 Mg\n0.874095 0.187048 0.334877 Mg\n0.874095 0.187048 0.915123 Mg\n0.830360 0.665181 0.394519 Mg\n0.830360 0.665181 0.855481 Mg\n0.207797 0.353898 0.125000 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Sr",
"density": 2.1680273357580653,
"density_atomic": 0.04293172612785322,
"volume": 372.68475887391656,
"volume_molar": 14.027250481533654,
"formula_full": "Sr1 Mg14 Ni1",
"formula_reduced": "SrMg14Ni",
"formula_anonymous": "ABC14",
"energy": -28.98144407,
"energy_per_atom": -1.811340254375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.98144407,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.492000Z",
"spacegroup": 38
},
{
"id": "mp-510378",
"created_at": "2022-09-04T14:40:31.000316Z",
"structure_string": "Cs2 Mn2 Sb2\n1.0\n4.808317 0.000000 0.000000\n0.000000 4.808317 0.000000\n0.000000 0.000000 9.358489\nCs Mn Sb\n2 2 2\ndirect\n0.500000 0.000000 0.657302 Cs\n0.000000 0.500000 0.342698 Cs\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.158852 Sb\n0.000000 0.500000 0.841148 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cs",
"Mn",
"Sb"
],
"chemical_system": "Cs-Mn-Sb",
"density": 4.752181644404536,
"density_atomic": 0.027730604217457336,
"volume": 216.3674456189022,
"volume_molar": 21.716586889977908,
"formula_full": "Cs2 Mn2 Sb2",
"formula_reduced": "CsMnSb",
"formula_anonymous": "ABC",
"energy": -29.36546409,
"energy_per_atom": -4.894244015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.98146409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.3965686,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.101000Z",
"spacegroup": 129
}
]
}