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_above_hull&page=10374",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=10372",
"results": [
{
"id": "mp-9973",
"created_at": "2022-09-04T14:47:08.245519Z",
"structure_string": "V2 B2\n1.0\n1.526439 -4.017327 0.000000\n1.526439 4.017327 0.000000\n0.000000 0.000000 2.969258\nV B\n2 2\ndirect\n0.147675 0.852325 0.250000 V\n0.852325 0.147675 0.750000 V\n0.437497 0.562503 0.250000 B\n0.562503 0.437497 0.750000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"B"
],
"chemical_system": "B-V",
"density": 5.631694260998425,
"density_atomic": 0.10984123903886303,
"volume": 36.41619518316573,
"volume_molar": 5.482586333416451,
"formula_full": "V2 B2",
"formula_reduced": "VB",
"formula_anonymous": "AB",
"energy": -34.9153388,
"energy_per_atom": -8.7288347,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.9153388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002273,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.080000Z",
"spacegroup": 63
},
{
"id": "mp-980387",
"created_at": "2022-09-04T14:47:08.249780Z",
"structure_string": "Dy1 Y1 Ir2\n1.0\n0.000000 3.435937 3.435937\n3.435937 0.000000 3.435937\n3.435937 3.435937 0.000000\nDy Y Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Y",
"Ir"
],
"chemical_system": "Dy-Ir-Y",
"density": 13.014613290729557,
"density_atomic": 0.0493053923567862,
"volume": 81.1270290895364,
"volume_molar": 12.213959715445073,
"formula_full": "Dy1 Y1 Ir2",
"formula_reduced": "DyYIr2",
"formula_anonymous": "ABC2",
"energy": -32.02426248,
"energy_per_atom": -8.00606562,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.02426248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.485000Z",
"spacegroup": 225
},
{
"id": "mp-1095777",
"created_at": "2022-09-04T14:47:08.251000Z",
"structure_string": "Zr2 Ga1 Cu1\n1.0\n-5.360352 5.501070 7.760255\n5.360352 -5.501070 7.760255\n5.360352 5.501070 -7.760255\nZr Ga Cu\n2 1 1\ndirect\n0.000000 0.242983 0.242983 Zr\n0.000000 0.757017 0.757017 Zr\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Zr",
"density": 0.5727572567778455,
"density_atomic": 0.004370021028730955,
"volume": 915.3274031639137,
"volume_molar": 137.80576158345895,
"formula_full": "Zr2 Ga1 Cu1",
"formula_reduced": "Zr2GaCu",
"formula_anonymous": "ABC2",
"energy": -12.45565872,
"energy_per_atom": -3.11391468,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.45565872,
"band_gap": 0.0205000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.9999878,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.658000Z",
"spacegroup": 71
},
{
"id": "mp-571006",
"created_at": "2022-09-04T14:47:11.145440Z",
"structure_string": "Yb4 P20\n1.0\n16.652654 0.000000 0.000000\n0.000000 5.524024 0.000000\n0.000000 1.312829 5.451257\nYb P\n4 20\ndirect\n0.490902 0.119644 0.973522 Yb\n0.262545 0.421992 0.018572 Yb\n0.990902 0.880356 0.026478 Yb\n0.762545 0.578008 0.981428 Yb\n0.671152 0.833772 0.291313 P\n0.135395 0.787509 0.738032 P\n0.320602 0.790868 0.572292 P\n0.258452 0.870273 0.217076 P\n0.135190 0.773345 0.345948 P\n0.171152 0.166228 0.708687 P\n0.937199 0.284809 0.585146 P\n0.127894 0.373105 0.343823 P\n0.503736 0.671749 0.761339 P\n0.635395 0.212491 0.261968 P\n0.405943 0.348489 0.341230 P\n0.905943 0.651511 0.658770 P\n0.437199 0.715191 0.414854 P\n0.635190 0.226655 0.654052 P\n0.627894 0.626895 0.656177 P\n0.820602 0.209132 0.427708 P\n0.336890 0.163023 0.658318 P\n0.758452 0.129727 0.782924 P\n0.836890 0.836977 0.341682 P\n0.003736 0.328251 0.238661 P\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Yb",
"P"
],
"chemical_system": "P-Yb",
"density": 4.3433667381889265,
"density_atomic": 0.047860316797309954,
"volume": 501.45927996341527,
"volume_molar": 12.582743205616392,
"formula_full": "Yb4 P20",
"formula_reduced": "YbP5",
"formula_anonymous": "AB5",
"energy": -123.77509043,
"energy_per_atom": -5.157295434583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.77509043,
"band_gap": 0.1032999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003892,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.934000Z",
"spacegroup": 4
},
{
"id": "mp-1196968",
"created_at": "2022-09-04T14:47:11.146173Z",
"structure_string": "B4 H20 O8 F16\n1.0\n9.746564 0.000000 0.000000\n0.000000 6.652603 0.000000\n0.000000 0.695219 7.104487\nB H O F\n4 20 8 16\ndirect\n0.380020 0.792504 0.355066 B\n0.880020 0.207496 0.144934 B\n0.619980 0.207496 0.644934 B\n0.119980 0.792504 0.855066 B\n0.591226 0.698718 0.917408 H\n0.091226 0.301282 0.582592 H\n0.408774 0.301282 0.082592 H\n0.908774 0.698718 0.417408 H\n0.762446 0.604405 0.019730 H\n0.262446 0.395595 0.480270 H\n0.237554 0.395595 0.980270 H\n0.737554 0.604405 0.519730 H\n0.742914 0.845935 0.000547 H\n0.242914 0.154065 0.499453 H\n0.257086 0.154065 0.999453 H\n0.757086 0.845935 0.500547 H\n0.463610 0.711175 0.738935 H\n0.963610 0.288825 0.761065 H\n0.536390 0.288825 0.261065 H\n0.036390 0.711175 0.238935 H\n0.420677 0.783235 0.938844 H\n0.920677 0.216765 0.561156 H\n0.579323 0.216765 0.061156 H\n0.079323 0.783235 0.438844 H\n0.716443 0.719616 0.948658 O\n0.216443 0.280384 0.551342 O\n0.283557 0.280384 0.051342 O\n0.783557 0.719616 0.448658 O\n0.475357 0.684160 0.877587 O\n0.975357 0.315840 0.622413 O\n0.524643 0.315840 0.122413 O\n0.024643 0.684160 0.377587 O\n0.447996 0.884462 0.196025 F\n0.947996 0.115538 0.303975 F\n0.552004 0.115538 0.803975 F\n0.052004 0.884462 0.696025 F\n0.269975 0.919293 0.406036 F\n0.769975 0.080707 0.093964 F\n0.730025 0.080707 0.593964 F\n0.230025 0.919293 0.906036 F\n0.324707 0.603489 0.316640 F\n0.824707 0.396511 0.183360 F\n0.675293 0.396511 0.683360 F\n0.175293 0.603489 0.816640 F\n0.472965 0.761294 0.508775 F\n0.972965 0.238706 0.991225 F\n0.527035 0.238706 0.491225 F\n0.027035 0.761294 0.008775 F\n",
"nsites": 48,
"nelements": 4,
"elements": [
"B",
"H",
"O",
"F"
],
"chemical_system": "B-F-H-O",
"density": 1.7856859360425505,
"density_atomic": 0.10419943575950066,
"volume": 460.65508560705877,
"volume_molar": 5.779437015282412,
"formula_full": "B4 H20 O8 F16",
"formula_reduced": "BH5(OF2)2",
"formula_anonymous": "AB2C4D5",
"energy": -262.69868741,
"energy_per_atom": -5.4728893210416665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.81068741,
"band_gap": 7.263999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029235,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.166000Z",
"spacegroup": 14
},
{
"id": "mp-1245950",
"created_at": "2022-09-04T14:47:11.149971Z",
"structure_string": "Mn4 Ir2 N6\n1.0\n5.333860 -0.079859 0.000000\n-2.734919 4.738393 0.000000\n0.000000 0.000000 4.928089\nMn Ir N\n4 2 6\ndirect\n0.375312 0.348074 0.494077 Mn\n0.624688 0.972762 0.494077 Mn\n0.624688 0.651926 0.994077 Mn\n0.375312 0.027238 0.994077 Mn\n0.000000 0.596244 0.494292 Ir\n0.000000 0.403756 0.994292 Ir\n0.313253 0.314461 0.866119 N\n0.686747 0.001208 0.866119 N\n0.686747 0.685539 0.366119 N\n0.313253 0.998792 0.366119 N\n0.000000 0.750948 0.873316 N\n0.000000 0.249052 0.373316 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Ir",
"N"
],
"chemical_system": "Ir-Mn-N",
"density": 9.255470522207803,
"density_atomic": 0.09718502154019937,
"volume": 123.4758176704869,
"volume_molar": 6.196572953898062,
"formula_full": "Mn4 Ir2 N6",
"formula_reduced": "Mn2IrN3",
"formula_anonymous": "AB2C3",
"energy": -106.08518719999998,
"energy_per_atom": -8.840432266666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.9191872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9790952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.527000Z",
"spacegroup": 36
},
{
"id": "mp-1192200",
"created_at": "2022-09-04T14:47:11.151479Z",
"structure_string": "Ce11 In9 Ni4\n1.0\n7.257792 -10.810060 0.000000\n7.257792 10.810060 0.000000\n0.000000 0.000000 3.696032\nCe In Ni\n11 9 4\ndirect\n0.415817 0.070545 0.000000 Ce\n0.584183 0.929455 0.000000 Ce\n0.070545 0.415817 0.000000 Ce\n0.929455 0.584183 0.000000 Ce\n0.156364 0.843636 0.000000 Ce\n0.843636 0.156364 0.000000 Ce\n0.375497 0.624503 0.000000 Ce\n0.624503 0.375497 0.000000 Ce\n0.313137 0.313137 0.000000 Ce\n0.686863 0.686863 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.368220 0.837628 0.500000 In\n0.631780 0.162372 0.500000 In\n0.837628 0.368220 0.500000 In\n0.162372 0.631780 0.500000 In\n0.221468 0.081500 0.500000 In\n0.778532 0.918500 0.500000 In\n0.081500 0.221468 0.500000 In\n0.918500 0.778532 0.500000 In\n0.500000 0.500000 0.500000 In\n0.450938 0.251895 0.500000 Ni\n0.549062 0.748105 0.500000 Ni\n0.251895 0.450938 0.500000 Ni\n0.748105 0.549062 0.500000 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"In",
"Ni"
],
"chemical_system": "Ce-In-Ni",
"density": 8.043890098241107,
"density_atomic": 0.0413821357721896,
"volume": 579.9603996304351,
"volume_molar": 14.552513174168052,
"formula_full": "Ce11 In9 Ni4",
"formula_reduced": "Ce11In9Ni4",
"formula_anonymous": "A4B9C11",
"energy": -122.52164506,
"energy_per_atom": -5.1050685441666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.52164506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.1088545,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.573000Z",
"spacegroup": 65
},
{
"id": "mp-9122",
"created_at": "2022-09-04T14:47:11.154704Z",
"structure_string": "Ca2 P6\n1.0\n5.609472 0.000000 0.000000\n1.489471 5.438748 0.000000\n1.025324 1.731214 5.327301\nCa P\n2 6\ndirect\n0.675713 0.642839 0.647898 Ca\n0.324287 0.357161 0.352102 Ca\n0.598928 0.800014 0.101566 P\n0.401072 0.199986 0.898434 P\n0.004830 0.199427 0.999483 P\n0.995170 0.800573 0.000517 P\n0.127112 0.822345 0.605781 P\n0.872888 0.177655 0.394219 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"P"
],
"chemical_system": "Ca-P",
"density": 2.717692061163611,
"density_atomic": 0.04922229173566435,
"volume": 162.52798717625626,
"volume_molar": 12.234580202686127,
"formula_full": "Ca2 P6",
"formula_reduced": "CaP3",
"formula_anonymous": "AB3",
"energy": -41.48603056,
"energy_per_atom": -5.18575382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.48603056,
"band_gap": 0.0049000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.088000Z",
"spacegroup": 2
},
{
"id": "mp-776385",
"created_at": "2022-09-04T14:47:11.157801Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n5.666232 0.000000 0.000000\n1.782980 5.400666 0.000000\n2.364829 1.707479 6.956258\nLi V O F\n1 6 7 5\ndirect\n0.573432 0.061275 0.430762 Li\n0.001468 0.004740 0.000818 V\n0.296697 0.322151 0.172953 V\n0.648813 0.635146 0.308313 V\n0.333086 0.349524 0.677018 V\n0.016721 0.996285 0.503168 V\n0.696240 0.696831 0.829122 V\n0.781017 0.778654 0.027339 O\n0.423575 0.413977 0.368583 O\n0.369809 0.952504 0.336488 O\n0.954764 0.351605 0.332820 O\n0.044969 0.647419 0.668372 O\n0.645063 0.048060 0.658715 O\n0.225894 0.225677 0.966190 O\n0.894699 0.891924 0.300884 F\n0.107592 0.107490 0.704422 F\n0.574827 0.581174 0.634602 F\n0.307547 0.700404 0.994339 F\n0.692197 0.309042 0.999539 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.053053574845729,
"density_atomic": 0.08925575909029275,
"volume": 212.8714179751612,
"volume_molar": 6.7470612780379735,
"formula_full": "Li1 V6 O7 F5",
"formula_reduced": "LiV6O7F5",
"formula_anonymous": "AB5C6D7",
"energy": -152.08105401999998,
"energy_per_atom": -8.004266001052631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.76205402,
"band_gap": 0.6795,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.231000Z",
"spacegroup": 1
},
{
"id": "mp-756696",
"created_at": "2022-09-04T14:47:11.160927Z",
"structure_string": "Mg2 Mn3 O8\n1.0\n0.073929 4.219180 4.219180\n4.219180 0.073929 4.219180\n4.219180 4.219180 0.073929\nMg Mn O\n2 3 8\ndirect\n0.119211 0.119211 0.119211 Mg\n0.499930 0.499930 0.499930 Mg\n0.502027 0.993329 0.502027 Mn\n0.502027 0.502027 0.993329 Mn\n0.993329 0.502027 0.502027 Mn\n0.261231 0.261231 0.261231 O\n0.710150 0.255719 0.255719 O\n0.255719 0.255719 0.710150 O\n0.255719 0.710150 0.255719 O\n0.747005 0.747005 0.296817 O\n0.747005 0.296817 0.747005 O\n0.296817 0.747005 0.747005 O\n0.734829 0.734829 0.734829 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.876048335467963,
"density_atomic": 0.08887821564020032,
"volume": 146.267562938336,
"volume_molar": 6.775721943360144,
"formula_full": "Mg2 Mn3 O8",
"formula_reduced": "Mg2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy": -98.97569459,
"energy_per_atom": -7.613514968461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.47569459,
"band_gap": 1.1172000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9996378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.878000Z",
"spacegroup": 160
},
{
"id": "mp-1186106",
"created_at": "2022-09-04T14:47:11.162790Z",
"structure_string": "Mo1 Pb1 O3\n1.0\n4.107546 0.000000 0.000000\n0.000000 4.107546 0.000000\n0.000000 0.000000 4.107546\nMo Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mo",
"Pb",
"O"
],
"chemical_system": "Mo-O-Pb",
"density": 8.413561405503058,
"density_atomic": 0.07214773427435767,
"volume": 69.30224559771202,
"volume_molar": 8.346957559470242,
"formula_full": "Mo1 Pb1 O3",
"formula_reduced": "MoPbO3",
"formula_anonymous": "ABC3",
"energy": -37.81803724,
"energy_per_atom": -7.563607448000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.55503724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0007218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.577000Z",
"spacegroup": 221
},
{
"id": "mp-1111972",
"created_at": "2022-09-04T14:47:12.829476Z",
"structure_string": "K2 Cu1 Au1 Cl6\n1.0\n0.000000 4.988854 4.988854\n4.988854 0.000000 4.988854\n4.988854 4.988854 0.000000\nK Cu Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.742819 0.257181 0.257181 Cl\n0.257181 0.257181 0.742819 Cl\n0.257181 0.742819 0.742819 Cl\n0.257181 0.742819 0.257181 Cl\n0.742819 0.257181 0.742819 Cl\n0.742819 0.742819 0.257181 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Cu",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cu-K",
"density": 3.6872694804545354,
"density_atomic": 0.04026870108575107,
"volume": 248.3318242300709,
"volume_molar": 14.954892007010658,
"formula_full": "K2 Cu1 Au1 Cl6",
"formula_reduced": "K2CuAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -34.39544948,
"energy_per_atom": -3.4395449480000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.71144948,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.433000Z",
"spacegroup": 225
}
]
}