HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=41",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=39",
"results": [
{
"id": "oqmd-1016654",
"created_at": "2022-09-04T15:27:47.819682Z",
"updated_at": "2022-09-04T15:27:47.819700Z",
"structure_string": "Y2 O2 F2\n1.0\n1.891547 3.276256 -0.000000\n-3.783094 0.000000 0.000000\n1.891547 1.092086 6.279106\nF O Y\n2 2 2\ndirect\n0.630151 0.369854 0.109557 F\n0.369855 0.630149 0.890444 F\n0.878563 0.121434 0.364307 O\n0.121437 0.878566 0.635694 O\n0.241348 0.758655 0.275961 Y\n0.758652 0.241344 0.724038 Y\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"O",
"Y"
],
"chemical_system": "F-O-Y",
"density": 5.287378833057326,
"density_atomic": 0.07709540140125451,
"volume": 77.82565355321397,
"volume_molar": 7.811284007274144,
"formula_full": "Y2 O2 F2",
"formula_reduced": "YOF",
"formula_anonymous": "ABC",
"formation_energy": -4.12742548666995,
"spacegroup": 166
},
{
"id": "oqmd-1387559",
"created_at": "2022-09-04T15:49:32.777988Z",
"updated_at": "2022-09-04T15:49:32.778016Z",
"structure_string": "Eu2 Al2 F10\n1.0\n4.340188 -3.123013 0.000000\n4.340188 3.123013 0.000000\n-3.038811 0.000000 6.560471\nAl Eu F\n2 2 10\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500001 Al\n0.444415 0.555586 0.250000 Eu\n0.555586 0.444414 0.750000 Eu\n0.699442 0.265124 0.031452 F\n0.197944 0.243243 0.114810 F\n0.060321 0.939680 0.250000 F\n0.756757 0.802056 0.385190 F\n0.734877 0.300560 0.468549 F\n0.265123 0.699441 0.531451 F\n0.243243 0.197943 0.614810 F\n0.939679 0.060320 0.750000 F\n0.802057 0.756758 0.885191 F\n0.300559 0.734877 0.968549 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Eu",
"F"
],
"chemical_system": "Al-Eu-F",
"density": 5.115443803797252,
"density_atomic": 0.07871920257292069,
"volume": 177.847330034006,
"volume_molar": 7.6501546803925695,
"formula_full": "Eu2 Al2 F10",
"formula_reduced": "EuAlF5",
"formula_anonymous": "ABC5",
"formation_energy": -4.12721802580793,
"spacegroup": 15
},
{
"id": "oqmd-1363962",
"created_at": "2022-09-04T15:52:36.634566Z",
"updated_at": "2022-09-04T15:52:36.634592Z",
"structure_string": "Ba2 Hf2 F12\n1.0\n3.684159 -5.623758 0.000000\n3.684159 5.623758 0.000000\n0.000000 0.000000 5.115086\nBa F Hf\n2 12 2\ndirect\n0.250000 0.750000 0.411366 Ba\n0.750000 0.250000 0.588634 Ba\n0.449820 0.550180 0.193432 F\n0.050180 0.949820 0.193432 F\n0.444324 0.175597 0.243042 F\n0.055676 0.324403 0.243042 F\n0.824403 0.555676 0.243042 F\n0.675597 0.944324 0.243042 F\n0.324403 0.055676 0.756958 F\n0.175597 0.444324 0.756958 F\n0.944324 0.675597 0.756958 F\n0.555676 0.824403 0.756958 F\n0.949820 0.050180 0.806568 F\n0.550180 0.449820 0.806568 F\n0.250000 0.250000 0.000000 Hf\n0.750000 0.750000 0.000000 Hf\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"F",
"Hf"
],
"chemical_system": "Ba-F-Hf",
"density": 6.734495644227599,
"density_atomic": 0.07548698122828644,
"volume": 211.95707842141778,
"volume_molar": 7.977721008325852,
"formula_full": "Ba2 Hf2 F12",
"formula_reduced": "BaHfF6",
"formula_anonymous": "ABC6",
"formation_energy": -4.12578130997333,
"spacegroup": 67
},
{
"id": "oqmd-1560931",
"created_at": "2022-09-04T15:57:21.064602Z",
"updated_at": "2022-09-04T15:57:21.064626Z",
"structure_string": "Ba1 Sr1 F4\n1.0\n4.122507 0.000000 0.000000\n0.000000 4.122507 0.000000\n0.000000 0.000000 5.893419\nBa F Sr\n1 4 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.232522 F\n0.000000 0.500000 0.232522 F\n0.500000 0.000000 0.767478 F\n0.000000 0.500000 0.767478 F\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"F",
"Sr"
],
"chemical_system": "Ba-F-Sr",
"density": 4.989301812553058,
"density_atomic": 0.059904731781089134,
"volume": 100.1590328778351,
"volume_molar": 10.052863239596515,
"formula_full": "Ba1 Sr1 F4",
"formula_reduced": "BaSrF4",
"formula_anonymous": "ABC4",
"formation_energy": -4.12386212275407,
"spacegroup": 123
},
{
"id": "oqmd-1554635",
"created_at": "2022-09-04T15:57:01.155059Z",
"updated_at": "2022-09-04T15:57:01.155076Z",
"structure_string": "Ba1 Sr1 F4\n1.0\n4.122507 0.000000 0.000000\n0.000000 4.122507 0.000000\n0.000000 0.000000 5.893419\nBa F Sr\n1 4 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.232522 F\n0.000000 0.500000 0.232522 F\n0.500000 0.000000 0.767478 F\n0.000000 0.500000 0.767478 F\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"F",
"Sr"
],
"chemical_system": "Ba-F-Sr",
"density": 4.989301812553058,
"density_atomic": 0.059904731781089134,
"volume": 100.1590328778351,
"volume_molar": 10.052863239596515,
"formula_full": "Ba1 Sr1 F4",
"formula_reduced": "BaSrF4",
"formula_anonymous": "ABC4",
"formation_energy": -4.12386212275407,
"spacegroup": 123
},
{
"id": "oqmd-23194",
"created_at": "2022-09-04T14:49:28.714142Z",
"updated_at": "2022-09-04T14:49:28.714169Z",
"structure_string": "Na2 Th4 F18\n1.0\n-4.207334 4.207334 4.095283\n4.207334 -4.207334 4.095283\n4.207334 4.207334 -4.095283\nF Na Th\n18 2 4\ndirect\n0.238958 0.238958 0.000000 F\n0.666850 0.278989 0.000000 F\n0.278989 0.666850 0.000000 F\n0.761041 0.761041 0.000000 F\n0.236845 0.000000 0.236845 F\n0.000000 0.236845 0.236845 F\n0.653744 0.004892 0.273754 F\n0.004892 0.653744 0.273754 F\n0.620011 0.346258 0.351149 F\n0.346258 0.620011 0.351149 F\n0.721011 0.721011 0.387861 F\n0.333150 0.333150 0.612141 F\n0.995109 0.268862 0.648852 F\n0.268862 0.995109 0.648852 F\n0.731138 0.379990 0.726246 F\n0.379990 0.731138 0.726246 F\n0.763155 0.000000 0.763155 F\n0.000000 0.763155 0.763155 F\n0.500001 0.000000 0.500001 Na\n0.000000 0.500001 0.500001 Na\n0.392252 0.013668 0.000000 Th\n0.013668 0.392252 0.000000 Th\n0.986331 0.986331 0.378584 Th\n0.607749 0.607749 0.621417 Th\n",
"nsites": 24,
"nelements": 3,
"elements": [
"F",
"Na",
"Th"
],
"chemical_system": "F-Na-Th",
"density": 7.5366977488475815,
"density_atomic": 0.08276626399813695,
"volume": 289.97321904659407,
"volume_molar": 7.276081423870428,
"formula_full": "Na2 Th4 F18",
"formula_reduced": "NaTh2F9",
"formula_anonymous": "AB2C9",
"formation_energy": -4.12354120733597,
"spacegroup": 121
},
{
"id": "oqmd-13755",
"created_at": "2022-09-04T14:48:49.210706Z",
"updated_at": "2022-09-04T14:48:49.210743Z",
"structure_string": "Y2 O2 F2\n1.0\n3.835881 0.000000 0.000000\n0.000000 3.835881 0.000000\n0.000000 0.000000 5.426790\nF O Y\n2 2 2\ndirect\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.499999 O\n0.500000 0.500000 0.499999 O\n0.500000 0.000000 0.287912 Y\n0.000000 0.500000 0.712088 Y\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"O",
"Y"
],
"chemical_system": "F-O-Y",
"density": 5.153353532896228,
"density_atomic": 0.07514117518821262,
"volume": 79.84969605507605,
"volume_molar": 8.014435154781411,
"formula_full": "Y2 O2 F2",
"formula_reduced": "YOF",
"formula_anonymous": "ABC",
"formation_energy": -4.12227491000329,
"spacegroup": 129
},
{
"id": "oqmd-1442841",
"created_at": "2022-09-04T15:50:48.269739Z",
"updated_at": "2022-09-04T15:50:48.269760Z",
"structure_string": "Sc3 F9\n1.0\n4.087038 -2.359561 0.000000\n4.087038 2.359561 0.000000\n-0.001019 0.000000 7.124913\nF Sc\n9 3\ndirect\n0.674848 0.987775 0.173889 F\n0.337184 0.674896 0.173959 F\n0.987694 0.337255 0.174033 F\n0.321596 0.000000 0.499994 F\n0.678465 0.321535 0.500000 F\n0.000000 0.678404 0.500006 F\n0.662745 0.012306 0.825967 F\n0.325104 0.662816 0.826041 F\n0.012225 0.325152 0.826111 F\n0.000000 0.000000 0.000000 Sc\n0.333359 0.333274 0.336521 Sc\n0.666726 0.666641 0.663479 Sc\n",
"nsites": 12,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 3.6958378921037567,
"density_atomic": 0.08732363379936377,
"volume": 137.41984246293964,
"volume_molar": 6.896346954407063,
"formula_full": "Sc3 F9",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -4.12083810309833,
"spacegroup": 150
},
{
"id": "oqmd-1382390",
"created_at": "2022-09-04T15:48:59.954157Z",
"updated_at": "2022-09-04T15:48:59.954184Z",
"structure_string": "Dy4 O4 F4\n1.0\n0.000000 4.344651 5.307298\n3.633506 0.000000 5.307298\n3.633506 4.344651 0.000000\nDy F O\n4 4 4\ndirect\n0.050395 0.449606 0.050394 Dy\n0.199606 0.800394 0.199607 Dy\n0.449607 0.050393 0.449606 Dy\n0.800393 0.199607 0.800394 Dy\n0.625000 0.625000 0.125001 F\n0.625000 0.625000 0.625000 F\n0.624999 0.125000 0.625000 F\n0.125000 0.624999 0.625000 F\n0.383210 0.383208 0.116791 O\n0.866791 0.866792 0.133209 O\n0.116792 0.116790 0.383209 O\n0.133208 0.133210 0.866791 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"F",
"O"
],
"chemical_system": "Dy-F-O",
"density": 7.828654218453218,
"density_atomic": 0.0716138462058379,
"volume": 167.56536111059722,
"volume_molar": 8.409184925902053,
"formula_full": "Dy4 O4 F4",
"formula_reduced": "DyOF",
"formula_anonymous": "ABC",
"formation_energy": -4.12079608222551,
"spacegroup": 70
},
{
"id": "oqmd-1368540",
"created_at": "2022-09-04T15:49:35.313633Z",
"updated_at": "2022-09-04T15:49:35.313657Z",
"structure_string": "Rb1 Sm2 F7\n1.0\n3.530897 -5.619941 0.000000\n3.530897 5.619941 0.000000\n0.000000 0.000000 4.380790\nF Rb Sm\n7 1 2\ndirect\n0.724297 0.275704 0.000000 F\n0.275704 0.724297 0.000000 F\n0.327344 0.052616 0.499999 F\n0.052616 0.327344 0.499999 F\n0.500000 0.500000 0.499999 F\n0.947384 0.672655 0.499999 F\n0.672655 0.947384 0.499999 F\n0.000000 0.000000 0.000000 Rb\n0.695969 0.304032 0.499999 Sm\n0.304032 0.695969 0.499999 Sm\n",
"nsites": 10,
"nelements": 3,
"elements": [
"F",
"Rb",
"Sm"
],
"chemical_system": "F-Rb-Sm",
"density": 4.9586675266483775,
"density_atomic": 0.05751760104257956,
"volume": 173.8598241014455,
"volume_molar": 10.470083332477454,
"formula_full": "Rb1 Sm2 F7",
"formula_reduced": "RbSm2F7",
"formula_anonymous": "AB2C7",
"formation_energy": -4.12077243289177,
"spacegroup": 65
},
{
"id": "oqmd-313868",
"created_at": "2022-09-04T14:50:29.474311Z",
"updated_at": "2022-09-04T14:50:29.474335Z",
"structure_string": "Dy1 F3\n1.0\n0.000000 2.734079 2.734079\n2.734079 0.000000 2.734079\n2.734079 2.734079 0.000000\nDy F\n1 3\ndirect\n0.750000 0.750000 0.750000 Dy\n0.000000 0.000000 0.000000 F\n0.250000 0.250000 0.250000 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"F"
],
"chemical_system": "Dy-F",
"density": 8.916839933791584,
"density_atomic": 0.0978581087616393,
"volume": 40.87550894472235,
"volume_molar": 6.153951712543926,
"formula_full": "Dy1 F3",
"formula_reduced": "DyF3",
"formula_anonymous": "AB3",
"formation_energy": -4.120503956015,
"spacegroup": 225
},
{
"id": "oqmd-1443903",
"created_at": "2022-09-04T15:50:35.864882Z",
"updated_at": "2022-09-04T15:50:35.864914Z",
"structure_string": "Dy1 F3\n1.0\n-2.006083 2.016123 2.509038\n2.006083 -2.016123 2.509038\n2.006083 2.016123 -2.509038\nDy F\n1 3\ndirect\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.000000 F\n0.749412 0.249412 0.499999 F\n0.250588 0.750587 0.499999 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"F"
],
"chemical_system": "Dy-F",
"density": 8.979269198817258,
"density_atomic": 0.0985432404733391,
"volume": 40.591317890365104,
"volume_molar": 6.111165749242122,
"formula_full": "Dy1 F3",
"formula_reduced": "DyF3",
"formula_anonymous": "AB3",
"formation_energy": -4.120093838515,
"spacegroup": 139
}
]
}