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=28",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=26",
"results": [
{
"id": "oqmd-1724091",
"created_at": "2022-09-04T16:01:12.890356Z",
"updated_at": "2022-09-04T16:01:12.890378Z",
"structure_string": "Pr1 Tm1 F6\n1.0\n5.370392 0.000000 0.000000\n2.616371 4.691282 0.000000\n2.642393 1.554364 4.490910\nF Pr Tm\n6 1 1\ndirect\n0.750501 0.767973 0.043171 F\n0.240820 0.567273 0.229872 F\n0.758285 0.042210 0.428601 F\n0.241715 0.957790 0.571399 F\n0.759180 0.432727 0.770128 F\n0.249499 0.232027 0.956829 F\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Pr",
"Tm"
],
"chemical_system": "F-Pr-Tm",
"density": 6.2202988184286205,
"density_atomic": 0.07070629945881488,
"volume": 113.14409127944609,
"volume_molar": 8.517120548088911,
"formula_full": "Pr1 Tm1 F6",
"formula_reduced": "PrTmF6",
"formula_anonymous": "ABC6",
"formation_energy": -4.2084292652858295,
"spacegroup": 2
},
{
"id": "oqmd-1025779",
"created_at": "2022-09-04T15:28:41.639453Z",
"updated_at": "2022-09-04T15:28:41.639480Z",
"structure_string": "Tm2 O2 F2\n1.0\n3.707019 0.000000 0.000000\n-1.853509 -3.210373 0.000000\n-1.853509 -1.070125 -6.171441\nF O Tm\n2 2 2\ndirect\n0.369911 0.630089 0.109733 F\n0.630089 0.369911 0.890267 F\n0.121543 0.878460 0.364628 O\n0.878459 0.121544 0.635373 O\n0.758912 0.241091 0.276733 Tm\n0.241090 0.758913 0.723269 Tm\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"O",
"Tm"
],
"chemical_system": "F-O-Tm",
"density": 9.22141594838232,
"density_atomic": 0.08169290931149127,
"volume": 73.44578679555013,
"volume_molar": 7.371681105195871,
"formula_full": "Tm2 O2 F2",
"formula_reduced": "TmOF",
"formula_anonymous": "ABC",
"formation_energy": -4.20654150166995,
"spacegroup": 166
},
{
"id": "oqmd-7257",
"created_at": "2022-09-04T14:49:22.172910Z",
"updated_at": "2022-09-04T14:49:22.172920Z",
"structure_string": "Sr1 F2\n1.0\n2.858372 -2.858372 0.000000\n-2.858372 0.000000 -2.858372\n2.858372 2.858372 0.000000\nF Sr\n2 1\ndirect\n0.750002 0.500001 0.250001 F\n0.250001 0.500001 0.750002 F\n0.500000 0.000000 0.500000 Sr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"F",
"Sr"
],
"chemical_system": "F-Sr",
"density": 4.465916542949871,
"density_atomic": 0.06422956965100211,
"volume": 46.7074591391598,
"volume_molar": 9.375963115932292,
"formula_full": "Sr1 F2",
"formula_reduced": "SrF2",
"formula_anonymous": "AB2",
"formation_energy": -4.2059876560874,
"spacegroup": 225
},
{
"id": "oqmd-1025781",
"created_at": "2022-09-04T15:28:42.717924Z",
"updated_at": "2022-09-04T15:28:42.717941Z",
"structure_string": "Lu2 O2 F2\n1.0\n3.672902 0.000000 0.000000\n-1.836451 -3.180827 0.000000\n-1.836451 -1.060276 -6.114404\nF Lu O\n2 2 2\ndirect\n0.369832 0.630168 0.109496 F\n0.630168 0.369832 0.890504 F\n0.759059 0.240943 0.277175 Lu\n0.240942 0.759059 0.722824 Lu\n0.121370 0.878631 0.364109 O\n0.878631 0.121371 0.635890 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"Lu",
"O"
],
"chemical_system": "F-Lu-O",
"density": 9.761623918529082,
"density_atomic": 0.08399389670260701,
"volume": 71.43376168442214,
"volume_molar": 7.169736131331413,
"formula_full": "Lu2 O2 F2",
"formula_reduced": "LuOF",
"formula_anonymous": "ABC",
"formation_energy": -4.20598166666995,
"spacegroup": 166
},
{
"id": "oqmd-1363825",
"created_at": "2022-09-04T15:49:15.556099Z",
"updated_at": "2022-09-04T15:49:15.556110Z",
"structure_string": "Rb1 Ho3 F10\n1.0\n6.677503 -3.856710 0.000000\n6.677503 3.856710 0.000000\n-0.004074 0.000000 4.093529\nF Ho Rb\n10 3 1\ndirect\n0.691416 0.691416 0.060974 F\n0.689698 0.133203 0.068782 F\n0.133203 0.689698 0.068782 F\n0.171652 0.171652 0.267911 F\n0.964538 0.578997 0.537529 F\n0.578997 0.964538 0.537529 F\n0.966318 0.966318 0.543863 F\n0.319179 0.319179 0.844105 F\n0.874010 0.318762 0.854300 F\n0.318762 0.874010 0.854300 F\n0.488677 0.012911 0.037295 Ho\n0.012911 0.488677 0.037295 Ho\n0.011888 0.011888 0.044221 Ho\n0.506652 0.506652 0.496818 Rb\n",
"nsites": 14,
"nelements": 3,
"elements": [
"F",
"Ho",
"Rb"
],
"chemical_system": "F-Ho-Rb",
"density": 6.066214984434312,
"density_atomic": 0.06640015495404059,
"volume": 210.84288146149981,
"volume_molar": 9.069467931465331,
"formula_full": "Rb1 Ho3 F10",
"formula_reduced": "RbHo3F10",
"formula_anonymous": "AB3C10",
"formation_energy": -4.20584270295079,
"spacegroup": 156
},
{
"id": "oqmd-1016673",
"created_at": "2022-09-04T15:27:43.746108Z",
"updated_at": "2022-09-04T15:27:43.746134Z",
"structure_string": "Tm2 O2 F2\n1.0\n3.706047 0.000000 0.000000\n-1.853024 -3.209531 0.000000\n-1.853024 -1.069844 -6.160040\nF O Tm\n2 2 2\ndirect\n0.369882 0.630119 0.109645 F\n0.630119 0.369882 0.890356 F\n0.121381 0.878619 0.364142 O\n0.878618 0.121380 0.635858 O\n0.758792 0.241206 0.276380 Tm\n0.241208 0.758793 0.723620 Tm\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"O",
"Tm"
],
"chemical_system": "F-O-Tm",
"density": 9.243330249199289,
"density_atomic": 0.08188704901837429,
"volume": 73.27165982808448,
"volume_molar": 7.354204153392702,
"formula_full": "Tm2 O2 F2",
"formula_reduced": "TmOF",
"formula_anonymous": "ABC",
"formation_energy": -4.20540498666995,
"spacegroup": 166
},
{
"id": "oqmd-1016754",
"created_at": "2022-09-04T15:27:48.414046Z",
"updated_at": "2022-09-04T15:27:48.414061Z",
"structure_string": "Tm2 O2 F2\n1.0\n1.853885 3.211023 0.000000\n1.853885 -3.211023 -0.000000\n0.000000 2.140682 -6.152511\nF O Tm\n2 2 2\ndirect\n0.630453 0.369544 0.108637 F\n0.369544 0.630453 0.891363 F\n0.878717 0.121280 0.363843 O\n0.121280 0.878717 0.636157 O\n0.241453 0.758545 0.275639 Tm\n0.758545 0.241453 0.724361 Tm\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"O",
"Tm"
],
"chemical_system": "F-O-Tm",
"density": 9.246042775497088,
"density_atomic": 0.08191107940222114,
"volume": 73.2501640045205,
"volume_molar": 7.352046638805128,
"formula_full": "Tm2 O2 F2",
"formula_reduced": "TmOF",
"formula_anonymous": "ABC",
"formation_energy": -4.20539790833662,
"spacegroup": 166
},
{
"id": "oqmd-3648",
"created_at": "2022-09-04T15:17:22.027317Z",
"updated_at": "2022-09-04T15:17:22.027356Z",
"structure_string": "Sm6 F18\n1.0\n6.830090 -0.000008 0.000000\n-3.415052 5.915021 0.000000\n0.000000 0.000000 6.864141\nF Sm\n18 6\ndirect\n0.333335 0.666668 0.005006 F\n0.344699 0.002011 0.165633 F\n0.657303 0.655290 0.165639 F\n0.997991 0.342715 0.165655 F\n0.000000 0.000000 0.249999 F\n0.657284 0.002008 0.334345 F\n0.344710 0.342697 0.334361 F\n0.997989 0.655301 0.334367 F\n0.333330 0.666664 0.494994 F\n0.666666 0.333332 0.505006 F\n0.655299 0.997987 0.665633 F\n0.342697 0.344709 0.665639 F\n0.002009 0.657284 0.665656 F\n0.000000 0.000000 0.749999 F\n0.342716 0.997990 0.834345 F\n0.655291 0.657304 0.834359 F\n0.002012 0.344700 0.834365 F\n0.666669 0.333334 0.994994 F\n0.674279 0.000000 0.000000 Sm\n0.325727 0.325727 0.000000 Sm\n0.000000 0.674282 0.000000 Sm\n0.325720 0.000000 0.499994 Sm\n0.674274 0.674274 0.500000 Sm\n0.000000 0.325720 0.500006 Sm\n",
"nsites": 24,
"nelements": 2,
"elements": [
"F",
"Sm"
],
"chemical_system": "F-Sm",
"density": 7.4498354342051165,
"density_atomic": 0.08654512751460276,
"volume": 277.3119722534406,
"volume_molar": 6.958382213930975,
"formula_full": "Sm6 F18",
"formula_reduced": "SmF3",
"formula_anonymous": "AB3",
"formation_energy": -4.20488586080666,
"spacegroup": 193
},
{
"id": "oqmd-1365121",
"created_at": "2022-09-04T15:49:14.886132Z",
"updated_at": "2022-09-04T15:49:14.886162Z",
"structure_string": "K1 Tm2 F7\n1.0\n3.374832 -5.380452 0.000000\n3.374832 5.380452 0.000000\n0.000000 0.000000 4.189007\nF K Tm\n7 1 2\ndirect\n0.714544 0.285455 0.000000 F\n0.285455 0.714544 0.000000 F\n0.327267 0.051010 0.499999 F\n0.051010 0.327267 0.499999 F\n0.500000 0.500000 0.499999 F\n0.948990 0.672732 0.499999 F\n0.672732 0.948990 0.499999 F\n0.000000 0.000000 0.000000 K\n0.695664 0.304335 0.499999 Tm\n0.304335 0.695664 0.499999 Tm\n",
"nsites": 10,
"nelements": 3,
"elements": [
"F",
"K",
"Tm"
],
"chemical_system": "F-K-Tm",
"density": 5.566335925078296,
"density_atomic": 0.06573368790559603,
"volume": 152.12899684499038,
"volume_molar": 9.161422326781281,
"formula_full": "K1 Tm2 F7",
"formula_reduced": "KTm2F7",
"formula_anonymous": "AB2C7",
"formation_energy": -4.20487958889177,
"spacegroup": 65
},
{
"id": "oqmd-1016756",
"created_at": "2022-09-04T15:27:47.979236Z",
"updated_at": "2022-09-04T15:27:47.979253Z",
"structure_string": "Lu2 O2 F2\n1.0\n1.836098 3.180214 0.000000\n1.836098 -3.180214 0.000000\n0.000000 2.120143 -6.101156\nF Lu O\n2 2 2\ndirect\n0.630488 0.369513 0.108537 F\n0.369512 0.630489 0.891464 F\n0.241271 0.758730 0.276190 Lu\n0.758730 0.241271 0.723810 Lu\n0.878810 0.121191 0.363570 O\n0.121191 0.878810 0.636430 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"Lu",
"O"
],
"chemical_system": "F-Lu-O",
"density": 9.786587073238758,
"density_atomic": 0.08420869217675714,
"volume": 71.25155188737261,
"volume_molar": 7.151447913903359,
"formula_full": "Lu2 O2 F2",
"formula_reduced": "LuOF",
"formula_anonymous": "ABC",
"formation_energy": -4.20483398833662,
"spacegroup": 166
},
{
"id": "oqmd-1016675",
"created_at": "2022-09-04T15:29:28.427739Z",
"updated_at": "2022-09-04T15:29:28.427759Z",
"structure_string": "Lu2 O2 F2\n1.0\n-1.835711 3.179544 0.000000\n3.671422 -0.000000 -0.000000\n1.835711 -1.059848 -6.105426\nF Lu O\n2 2 2\ndirect\n0.369846 0.630150 0.109545 F\n0.630149 0.369847 0.890455 F\n0.758967 0.241035 0.276898 Lu\n0.241034 0.758965 0.723103 Lu\n0.121271 0.878729 0.363812 O\n0.878730 0.121272 0.636187 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"Lu",
"O"
],
"chemical_system": "F-Lu-O",
"density": 9.783865533163212,
"density_atomic": 0.08418527468414677,
"volume": 71.27137165628184,
"volume_molar": 7.153437204540061,
"formula_full": "Lu2 O2 F2",
"formula_reduced": "LuOF",
"formula_anonymous": "ABC",
"formation_energy": -4.20482677666995,
"spacegroup": 166
},
{
"id": "oqmd-1473727",
"created_at": "2022-09-04T15:52:14.041954Z",
"updated_at": "2022-09-04T15:52:14.041981Z",
"structure_string": "Y2 F6\n1.0\n4.614393 0.000000 0.000000\n0.987248 4.509042 0.000000\n0.985572 0.791403 4.441005\nF Y\n6 2\ndirect\n0.750115 0.372528 0.127431 F\n0.627541 0.872533 0.249961 F\n0.127683 0.749828 0.372690 F\n0.872317 0.250172 0.627310 F\n0.372459 0.127467 0.750039 F\n0.249885 0.627472 0.872569 F\n0.250203 0.250318 0.250256 Y\n0.749797 0.749682 0.749744 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Y"
],
"chemical_system": "F-Y",
"density": 5.243936407860149,
"density_atomic": 0.08657846154678885,
"volume": 92.40173430058734,
"volume_molar": 6.955703130328214,
"formula_full": "Y2 F6",
"formula_reduced": "YF3",
"formula_anonymous": "AB3",
"formation_energy": -4.204662933098329,
"spacegroup": 167
}
]
}