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=10160",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10158",
"results": [
{
"id": "mp-1517536",
"created_at": "2022-09-04T14:42:07.117999Z",
"structure_string": "Sm1 Eu1 Hf1 Fe1 O6\n1.0\n-0.000000 -4.029780 -4.029780\n4.029780 -0.000000 -4.029780\n4.029780 -4.029780 0.000000\nSm Eu Hf Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Hf\n-0.000000 -0.000000 0.000000 Fe\n0.753464 0.246536 0.246536 O\n0.246536 0.753464 0.753464 O\n0.753464 0.246536 0.753464 O\n0.246536 0.753464 0.246536 O\n0.753464 0.753464 0.246536 O\n0.246536 0.246536 0.753464 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sm",
"Eu",
"Hf",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-Hf-O-Sm",
"density": 8.02679755590747,
"density_atomic": 0.07640574118296233,
"volume": 130.88021718229066,
"volume_molar": 7.8817909057112505,
"formula_full": "Sm1 Eu1 Hf1 Fe1 O6",
"formula_reduced": "SmEuHfFeO6",
"formula_anonymous": "ABCDE6",
"energy": -94.29050442000002,
"energy_per_atom": -9.429050442000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.91250442,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.882995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.907000Z",
"spacegroup": 216
},
{
"id": "mp-1217024",
"created_at": "2022-09-04T14:44:13.508119Z",
"structure_string": "Ti6 Pt1 Au1\n1.0\n5.077189 0.000000 0.000000\n0.000000 5.077189 0.000000\n0.000000 0.000000 5.077189\nTi Pt Au\n6 1 1\ndirect\n0.000000 0.500000 0.753602 Ti\n0.500000 0.246398 0.000000 Ti\n0.753602 0.000000 0.500000 Ti\n0.000000 0.500000 0.246398 Ti\n0.500000 0.753602 0.000000 Ti\n0.246398 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Pt",
"Au"
],
"chemical_system": "Au-Pt-Ti",
"density": 8.61807750928742,
"density_atomic": 0.0611251581259216,
"volume": 130.8790070288163,
"volume_molar": 9.852147535707013,
"formula_full": "Ti6 Pt1 Au1",
"formula_reduced": "Ti6PtAu",
"formula_anonymous": "ABC6",
"energy": -60.69074253,
"energy_per_atom": -7.58634281625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.69074253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0156442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.894000Z",
"spacegroup": 200
},
{
"id": "mp-755874",
"created_at": "2022-09-04T14:41:07.741053Z",
"structure_string": "Na4 Mn2 O6\n1.0\n4.582508 2.644271 0.000000\n-4.582508 2.644271 0.000000\n0.000000 1.821201 5.400303\nNa Mn O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.338535 0.661465 0.000000 Na\n0.661465 0.338535 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.164065 0.835935 0.500000 Mn\n0.835935 0.164065 0.500000 Mn\n0.565043 0.946730 0.300180 O\n0.434957 0.053270 0.699820 O\n0.808079 0.808079 0.700949 O\n0.946730 0.565043 0.300180 O\n0.053270 0.434957 0.699820 O\n0.191921 0.191921 0.299051 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.778874829436165,
"density_atomic": 0.09169041293455979,
"volume": 130.87518766617944,
"volume_molar": 6.5679066843095715,
"formula_full": "Na4 Mn2 O6",
"formula_reduced": "Na2MnO3",
"formula_anonymous": "AB2C3",
"energy": -76.21224868,
"energy_per_atom": -6.351020723333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.75424868,
"band_gap": 1.2668999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0003449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.687000Z",
"spacegroup": 12
},
{
"id": "mp-1185103",
"created_at": "2022-09-04T14:41:53.248780Z",
"structure_string": "La3 Tl1\n1.0\n-2.491734 2.491734 5.269765\n2.491734 -2.491734 5.269765\n2.491734 2.491734 -5.269765\nLa Tl\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Tl"
],
"chemical_system": "La-Tl",
"density": 7.880537271919038,
"density_atomic": 0.03056366246400161,
"volume": 130.87436771398933,
"volume_molar": 19.70359660624108,
"formula_full": "La3 Tl1",
"formula_reduced": "La3Tl",
"formula_anonymous": "AB3",
"energy": -18.04333042,
"energy_per_atom": -4.510832605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.04333042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5083971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.873000Z",
"spacegroup": 139
},
{
"id": "mp-556360",
"created_at": "2022-09-04T14:40:20.818675Z",
"structure_string": "Zr1 Co1 F6\n1.0\n4.981892 -2.833425 0.000000\n4.981892 2.833425 0.000000\n3.370396 0.000000 4.635512\nZr Co F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Co\n0.250659 0.690100 0.809769 F\n0.809769 0.250659 0.690100 F\n0.309900 0.190231 0.749341 F\n0.190231 0.749341 0.309900 F\n0.749341 0.309900 0.190231 F\n0.690100 0.809769 0.250659 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Co",
"F"
],
"chemical_system": "Co-F-Zr",
"density": 3.3516761935996953,
"density_atomic": 0.061130261237918454,
"volume": 130.86808133968327,
"volume_molar": 9.851325085233777,
"formula_full": "Zr1 Co1 F6",
"formula_reduced": "ZrCoF6",
"formula_anonymous": "ABC6",
"energy": -54.39929124,
"energy_per_atom": -6.799911405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.98929124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.000013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.546000Z",
"spacegroup": 148
},
{
"id": "mp-1218327",
"created_at": "2022-09-04T14:46:19.354814Z",
"structure_string": "Sr1 Ca1 Si4\n1.0\n-2.184021 2.184021 6.858817\n2.184021 -2.184021 6.858817\n2.184021 2.184021 -6.858817\nSr Ca Si\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Ca\n0.666664 0.166664 0.500000 Si\n0.585456 0.585456 0.000000 Si\n0.833336 0.333336 0.500000 Si\n0.414544 0.414544 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Si"
],
"chemical_system": "Ca-Si-Sr",
"density": 3.0458596580735615,
"density_atomic": 0.04584884753156957,
"volume": 130.86479427577007,
"volume_molar": 13.134770194285492,
"formula_full": "Sr1 Ca1 Si4",
"formula_reduced": "SrCaSi4",
"formula_anonymous": "ABC4",
"energy": -27.27790887,
"energy_per_atom": -4.546318145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.56190887,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.284000Z",
"spacegroup": 119
},
{
"id": "mp-1084785",
"created_at": "2022-09-04T14:48:18.562432Z",
"structure_string": "K2 Al2 O4\n1.0\n0.000000 4.029602 4.029602\n4.029602 0.000000 4.029602\n4.029602 4.029602 0.000000\nK Al O\n2 2 4\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Al\n0.125000 0.625000 0.625000 O\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.125000 O\n0.625000 0.625000 0.625000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Al",
"O"
],
"chemical_system": "Al-K-O",
"density": 2.489069746339283,
"density_atomic": 0.06113269349190463,
"volume": 130.8628745608826,
"volume_molar": 9.850933135798227,
"formula_full": "K2 Al2 O4",
"formula_reduced": "KAlO2",
"formula_anonymous": "ABC2",
"energy": -52.29396068,
"energy_per_atom": -6.536745085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.54596068,
"band_gap": 2.9467,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:05.984000Z",
"spacegroup": 227
},
{
"id": "mp-1185967",
"created_at": "2022-09-04T14:45:19.618278Z",
"structure_string": "Mg2 Si6\n1.0\n2.829657 -4.901109 0.000000\n2.829657 4.901109 0.000000\n0.000000 0.000000 4.717958\nMg Si\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.153092 0.306183 0.250000 Si\n0.153092 0.846908 0.250000 Si\n0.693817 0.846908 0.250000 Si\n0.306183 0.153092 0.750000 Si\n0.846908 0.153092 0.750000 Si\n0.846908 0.693817 0.750000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.755133870999804,
"density_atomic": 0.06113328938726261,
"volume": 130.86159897796756,
"volume_molar": 9.85083711404991,
"formula_full": "Mg2 Si6",
"formula_reduced": "MgSi3",
"formula_anonymous": "AB3",
"energy": -32.88051804,
"energy_per_atom": -4.110064755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.30651804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.554000Z",
"spacegroup": 194
},
{
"id": "mp-1016",
"created_at": "2022-09-04T14:40:40.909608Z",
"structure_string": "Pu2 Ge4\n1.0\n-2.020037 2.020037 8.017110\n2.020037 -2.020037 8.017110\n2.020037 2.020037 -8.017110\nPu Ge\n2 4\ndirect\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.829683 0.329683 0.500000 Ge\n0.079683 0.079683 0.000000 Ge\n0.670317 0.170317 0.500000 Ge\n0.920317 0.920317 0.000000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pu",
"Ge"
],
"chemical_system": "Ge-Pu",
"density": 9.879721499760494,
"density_atomic": 0.04585162882376458,
"volume": 130.85685621031288,
"volume_molar": 13.133973458493072,
"formula_full": "Pu2 Ge4",
"formula_reduced": "PuGe2",
"formula_anonymous": "AB2",
"energy": -49.0311179,
"energy_per_atom": -8.171852983333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.0311179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.8826912,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.690000Z",
"spacegroup": 141
},
{
"id": "mp-569698",
"created_at": "2022-09-04T14:45:26.859990Z",
"structure_string": "U1 Al2 Pd5\n1.0\n-2.096589 2.096589 7.442185\n2.096589 -2.096589 7.442185\n2.096589 2.096589 -7.442185\nU Al Pd\n1 2 5\ndirect\n0.000000 0.000000 0.000000 U\n0.254417 0.254417 0.000000 Al\n0.745583 0.745583 0.000000 Al\n0.356224 0.856224 0.500000 Pd\n0.143776 0.643776 0.500000 Pd\n0.856224 0.356224 0.500000 Pd\n0.643776 0.143776 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-U",
"density": 10.45773734981428,
"density_atomic": 0.06113683166602186,
"volume": 130.85401683395014,
"volume_molar": 9.850266354818217,
"formula_full": "U1 Al2 Pd5",
"formula_reduced": "UAl2Pd5",
"formula_anonymous": "AB2C5",
"energy": -50.37863869,
"energy_per_atom": -6.29732983625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.37863869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2585265,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.354000Z",
"spacegroup": 139
},
{
"id": "mp-23159",
"created_at": "2022-09-04T14:46:16.906760Z",
"structure_string": "Sr1 Bi3\n1.0\n5.076826 0.000000 0.000000\n0.000000 5.076826 0.000000\n0.000000 0.000000 5.076826\nSr Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 9.068003757945096,
"density_atomic": 0.030569135330284356,
"volume": 130.85093695919045,
"volume_molar": 19.70006902365328,
"formula_full": "Sr1 Bi3",
"formula_reduced": "SrBi3",
"formula_anonymous": "AB3",
"energy": -15.11135933,
"energy_per_atom": -3.7778398325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.11135933,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.103000Z",
"spacegroup": 221
},
{
"id": "mp-1094581",
"created_at": "2022-09-04T14:45:23.120946Z",
"structure_string": "Li2 Mg4\n1.0\n1.585674 -2.746468 0.000000\n1.585674 2.746468 0.000000\n0.000000 0.000000 15.022544\nLi Mg\n2 4\ndirect\n0.666667 0.333333 0.667319 Li\n0.666667 0.333333 0.332681 Li\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.830761 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.169239 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4099673161063138,
"density_atomic": 0.04585527702935655,
"volume": 130.8464453536896,
"volume_molar": 13.13292853109278,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy": -10.35495225,
"energy_per_atom": -1.725825375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.35495225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0092393,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.492000Z",
"spacegroup": 187
}
]
}