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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=928",
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"results": [
{
"id": "jvasp-106664",
"created_at": "2022-09-04T14:36:48.090680Z",
"updated_at": "2022-09-04T14:36:48.090699Z",
"structure_string": "Sr2 Mg1 Mo1 O6\n1.0\n4.853303 -0.000000 2.802056\n1.617768 4.575738 2.802056\n0.000000 -0.000000 5.604112\nSr Mg Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Mo\n0.757613 0.242386 0.242387 O\n0.242386 0.757614 0.757614 O\n0.242386 0.757614 0.242387 O\n0.757613 0.242386 0.757614 O\n0.242386 0.242386 0.757614 O\n0.757614 0.757614 0.242387 O\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.08035162023540778,
"volume": 124.45299759610069,
"volume_molar": 7.4947346952766,
"formula_full": "Sr2 Mg1 Mo1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-22264",
"created_at": "2022-09-04T14:37:40.206279Z",
"updated_at": "2022-09-04T14:37:40.206299Z",
"structure_string": "Sr2 Mg1 Ir1 O6\n1.0\n4.852852 -0.000000 2.801796\n1.617617 4.575313 2.801796\n-0.000000 -0.000000 5.603591\nSr Mg Ir O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.750001 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500001 Ir\n0.254978 0.745021 0.745022 O\n0.254978 0.745021 0.254979 O\n0.745022 0.254978 0.745023 O\n0.254978 0.254978 0.745022 O\n0.745022 0.254978 0.254979 O\n0.745022 0.745021 0.254979 O\n",
"nsites": 10,
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"elements": [
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"density": 6.509828830691486,
"density_atomic": 0.08037402442577737,
"volume": 124.41830642976765,
"volume_molar": 7.492645544408739,
"formula_full": "Sr2 Mg1 Ir1 O6",
"formula_reduced": "Sr2MgIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.818393377,
"spacegroup": 225
},
{
"id": "jvasp-101018",
"created_at": "2022-09-04T14:36:42.736308Z",
"updated_at": "2022-09-04T14:36:42.736327Z",
"structure_string": "Sr2 Mg1 In1\n1.0\n4.988917 -0.000000 2.880352\n1.662972 4.703596 2.880352\n-0.000000 -0.000000 5.760705\nSr Mg In\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Sr\n0.750000 0.750001 0.749998 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.499999 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"In"
],
"chemical_system": "In-Mg-Sr",
"density": 3.861611641232981,
"density_atomic": 0.029590211153343263,
"volume": 135.17983968654642,
"volume_molar": 20.35180056266542,
"formula_full": "Sr2 Mg1 In1",
"formula_reduced": "Sr2MgIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22682",
"created_at": "2022-09-04T14:36:19.501539Z",
"updated_at": "2022-09-04T14:36:19.501574Z",
"structure_string": "Sr2 Mg1 H6\n1.0\n5.474434 -0.000009 -0.000007\n-2.737225 4.740995 0.000004\n-0.000007 -0.000000 4.189851\nSr Mg H\n2 1 6\ndirect\n0.666664 0.333332 0.263827 Sr\n0.333333 0.666666 0.736171 Sr\n0.000000 0.000000 0.000000 Mg\n0.823226 0.646457 0.763586 H\n0.823225 0.176768 0.763586 H\n0.353539 0.176770 0.763584 H\n0.176771 0.353541 0.236412 H\n0.176772 0.823231 0.236412 H\n0.646458 0.823229 0.236414 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"H"
],
"chemical_system": "H-Mg-Sr",
"density": 3.139422544305918,
"density_atomic": 0.08276288502406987,
"volume": 108.74439668678221,
"volume_molar": 7.276378485656446,
"formula_full": "Sr2 Mg1 H6",
"formula_reduced": "Sr2MgH6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.7075712966666672,
"spacegroup": 164
},
{
"id": "jvasp-80232",
"created_at": "2022-09-04T14:37:15.189832Z",
"updated_at": "2022-09-04T14:37:15.189847Z",
"structure_string": "Sr2 Mg1 Cd1\n1.0\n-16.637530 0.000813 -9.604352\n-9.724919 -0.482094 -2.366942\n-8.560116 2.812468 -4.384441\nSr Mg Cd\n2 1 1\ndirect\n0.667660 0.000010 0.000009 Sr\n0.332340 -0.000009 -0.000010 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 -0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sr",
"density": 3.312465003289092,
"density_atomic": 0.025578133479432257,
"volume": 156.38357674599115,
"volume_molar": 23.54409779291554,
"formula_full": "Sr2 Mg1 Cd1",
"formula_reduced": "Sr2MgCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-11130",
"created_at": "2022-09-04T14:36:49.139881Z",
"updated_at": "2022-09-04T14:36:49.139901Z",
"structure_string": "Sr2 Mg1 B2 O6\n1.0\n5.178961 0.000000 0.000000\n-2.589481 3.989590 -2.181231\n0.000000 -0.014219 6.104801\nSr Mg B O\n2 1 2 6\ndirect\n0.709469 0.418939 0.182374 Sr\n0.290531 0.581061 0.817626 Sr\n0.500000 -0.000000 0.500000 Mg\n0.936875 0.873750 0.737063 B\n0.063125 0.126250 0.262937 B\n0.767771 0.535542 0.664023 O\n0.207495 0.952969 0.231241 O\n0.254526 0.047031 0.768759 O\n0.792505 0.047031 0.768759 O\n0.745474 0.952969 0.231241 O\n0.232229 0.464457 0.335977 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O-Sr",
"density": 4.180643490869196,
"density_atomic": 0.08731797532723433,
"volume": 125.97635204866137,
"volume_molar": 6.8967938588032105,
"formula_full": "Sr2 Mg1 B2 O6",
"formula_reduced": "Sr2Mg(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.0801907124242422,
"spacegroup": 12
},
{
"id": "jvasp-50516",
"created_at": "2022-09-04T14:36:46.284893Z",
"updated_at": "2022-09-04T14:36:46.284926Z",
"structure_string": "Sr2 Lu4 O8\n1.0\n0.000000 3.293932 0.000092\n10.956615 0.000000 0.000000\n0.000000 -1.647024 -5.444744\nSr Lu O\n2 4 8\ndirect\n0.886763 0.250000 0.773605 Sr\n0.113238 0.750000 0.226395 Sr\n0.366583 0.928218 0.733126 Lu\n0.366583 0.571781 0.733126 Lu\n0.633417 0.071781 0.266873 Lu\n0.633417 0.428218 0.266873 Lu\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.447348 0.750000 0.894667 O\n0.263547 0.107072 0.527079 O\n0.263547 0.392928 0.527079 O\n0.736453 0.607072 0.472920 O\n0.736453 0.892928 0.472920 O\n0.552652 0.250000 0.105333 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Lu",
"O"
],
"chemical_system": "Lu-O-Sr",
"density": 8.476759991695932,
"density_atomic": 0.07124644665366307,
"volume": 196.50102787659802,
"volume_molar": 8.452548923982551,
"formula_full": "Sr2 Lu4 O8",
"formula_reduced": "SrLu2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3886574014285713,
"spacegroup": 63
},
{
"id": "jvasp-50534",
"created_at": "2022-09-04T14:36:30.512765Z",
"updated_at": "2022-09-04T14:36:30.512784Z",
"structure_string": "Sr2 Lu4 O8\n1.0\n3.127677 -3.638277 4.797850\n3.638268 3.127666 4.797853\n-3.127674 3.638273 4.797856\nSr Lu O\n2 4 8\ndirect\n0.125001 0.250001 0.875000 Sr\n0.875000 0.750001 0.124999 Sr\n0.000000 0.000000 0.500000 Lu\n0.500001 0.000000 0.500000 Lu\n0.500000 0.500001 0.499999 Lu\n0.500000 0.500000 -0.000001 Lu\n0.731771 0.036443 0.695320 O\n0.268237 0.536443 0.731770 O\n0.268213 0.963559 0.731762 O\n0.304679 0.463558 0.268212 O\n0.695321 0.536443 0.731786 O\n0.731788 0.036443 0.268236 O\n0.731763 0.463558 0.268229 O\n0.268229 0.963558 0.304679 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Lu",
"O"
],
"chemical_system": "Lu-O-Sr",
"density": 7.5409285378686635,
"density_atomic": 0.06338086289085267,
"volume": 220.88686334405406,
"volume_molar": 9.501512736376986,
"formula_full": "Sr2 Lu4 O8",
"formula_reduced": "SrLu2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.39044883,
"spacegroup": 227
},
{
"id": "jvasp-57028",
"created_at": "2022-09-04T14:37:07.783107Z",
"updated_at": "2022-09-04T14:37:07.783134Z",
"structure_string": "Sr2 Lu2 Cu2 Se6\n1.0\n4.048643 0.000000 0.000000\n-2.024321 6.745275 -0.000000\n0.000000 0.000000 10.394591\nSr Lu Cu Se\n2 2 2 6\ndirect\n0.248131 0.496263 0.250000 Sr\n0.751869 0.503738 0.750000 Sr\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.470448 0.940897 0.750000 Cu\n0.529552 0.059104 0.250000 Cu\n0.638342 0.276685 0.439661 Se\n0.078371 0.156742 0.750000 Se\n0.361658 0.723316 0.939661 Se\n0.638342 0.276685 0.060339 Se\n0.921629 0.843258 0.250000 Se\n0.361658 0.723316 0.560339 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Lu",
"Cu",
"Se"
],
"chemical_system": "Cu-Lu-Se-Sr",
"density": 6.586898430676087,
"density_atomic": 0.042273158383620967,
"volume": 283.8680727638625,
"volume_molar": 14.245779095449183,
"formula_full": "Sr2 Lu2 Cu2 Se6",
"formula_reduced": "SrLuCuSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.5674471016666665,
"spacegroup": 63
},
{
"id": "jvasp-11114",
"created_at": "2022-09-04T14:37:32.927698Z",
"updated_at": "2022-09-04T14:37:32.927732Z",
"structure_string": "Sr2 Lu2 Cu2 S6\n1.0\n3.892563 0.000000 0.000000\n-1.946282 6.469782 0.000000\n0.000000 -0.000000 9.970818\nSr Lu Cu S\n2 2 2 6\ndirect\n0.251649 0.503300 0.750000 Sr\n0.748350 0.496700 0.250000 Sr\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.470712 0.941423 0.250000 Cu\n0.529288 0.058577 0.750000 Cu\n0.924413 0.848826 0.750000 S\n0.075587 0.151173 0.250000 S\n0.363670 0.727339 0.062151 S\n0.363670 0.727339 0.437849 S\n0.636329 0.272660 0.562151 S\n0.636329 0.272660 0.937849 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Cu",
"S"
],
"chemical_system": "Cu-Lu-S-Sr",
"density": 5.585639237810704,
"density_atomic": 0.04778869372094615,
"volume": 251.1054198315596,
"volume_molar": 12.601601531871228,
"formula_full": "Sr2 Lu2 Cu2 S6",
"formula_reduced": "SrLuCuS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.8093537516666667,
"spacegroup": 63
},
{
"id": "jvasp-11408",
"created_at": "2022-09-04T14:37:32.290675Z",
"updated_at": "2022-09-04T14:37:32.290704Z",
"structure_string": "Sr2 Li8 N4\n1.0\n3.748970 -0.000000 -0.524649\n-0.073422 3.748251 -0.524649\n0.007921 0.008078 13.713381\nSr Li N\n2 8 4\ndirect\n0.625000 0.875000 0.750000 Sr\n0.375000 0.125000 0.250000 Sr\n0.728819 0.978819 0.957636 Li\n0.478818 0.228818 0.457636 Li\n0.052570 0.302571 0.605141 Li\n0.802571 0.552570 0.105141 Li\n0.947430 0.697430 0.394859 Li\n0.271182 0.021182 0.042363 Li\n0.521181 0.771181 0.542363 Li\n0.197430 0.447430 0.894859 Li\n0.193628 0.943628 0.887255 N\n0.443628 0.693628 0.387255 N\n0.806372 0.056372 0.112745 N\n0.556372 0.306372 0.612745 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Li",
"N"
],
"chemical_system": "Li-N-Sr",
"density": 2.470947897582259,
"density_atomic": 0.07263923361585456,
"volume": 192.73331095476067,
"volume_molar": 8.290479483645848,
"formula_full": "Sr2 Li8 N4",
"formula_reduced": "SrLi4N2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9542146871428567,
"spacegroup": 141
},
{
"id": "jvasp-54819",
"created_at": "2022-09-04T14:37:29.772866Z",
"updated_at": "2022-09-04T14:37:29.772889Z",
"structure_string": "Sr2 Li6 Mn2 N6\n1.0\n5.328629 -0.000033 4.801361\n2.136658 4.881493 4.801361\n-0.000051 -0.000033 7.172681\nSr Li Mn N\n2 6 2 6\ndirect\n0.662684 0.662684 0.662683 Sr\n0.337317 0.337317 0.337316 Sr\n0.105563 0.523918 0.763394 Li\n0.763394 0.105563 0.523917 Li\n0.476082 0.236606 0.894437 Li\n0.523919 0.763394 0.105562 Li\n0.236606 0.894437 0.476081 Li\n0.894438 0.476082 0.236605 Li\n0.932557 0.932557 0.932555 Mn\n0.067444 0.067444 0.067444 Mn\n0.794626 0.382246 0.094884 N\n0.905116 0.205375 0.617753 N\n0.205375 0.617754 0.905115 N\n0.617755 0.905115 0.205374 N\n0.094885 0.794625 0.382245 N\n0.382246 0.094885 0.794625 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Mn",
"N"
],
"chemical_system": "Li-Mn-N-Sr",
"density": 3.6561764354994852,
"density_atomic": 0.0857561301153678,
"volume": 186.57558332535746,
"volume_molar": 7.022402657277572,
"formula_full": "Sr2 Li6 Mn2 N6",
"formula_reduced": "SrLi3MnN3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 2.9908579126724137,
"spacegroup": 148
}
]
}