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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1261",
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"results": [
{
"id": "jvasp-100444",
"created_at": "2022-09-04T14:36:40.054608Z",
"updated_at": "2022-09-04T14:36:40.054632Z",
"structure_string": "Sc2 Al2 N4\n1.0\n3.979935 0.000000 -1.846476\n-0.856913 3.886105 -1.847010\n0.005073 0.007263 5.223390\nSc Al N\n2 2 4\ndirect\n0.625001 0.874999 0.750001 Sc\n0.374999 0.124999 0.249998 Sc\n0.124999 0.374998 0.750000 Al\n0.875002 0.625000 0.249999 Al\n0.362729 0.612728 0.225457 N\n0.637271 0.387270 0.774541 N\n0.887272 0.137270 0.274541 N\n0.112729 0.862728 0.725458 N\n",
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"elements": [
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"volume": 80.88855973672936,
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"formula_full": "Sc2 Al2 N4",
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{
"id": "jvasp-116768",
"created_at": "2022-09-04T14:38:45.509075Z",
"updated_at": "2022-09-04T14:38:45.509102Z",
"structure_string": "Li4 Mn2 V6 O16\n1.0\n5.778700 0.000311 -0.000032\n2.889117 4.892008 -1.668965\n0.000091 0.001266 10.009169\nLi Mn V O\n4 2 6 16\ndirect\n0.320251 0.359536 0.559925 Li\n0.820211 0.359535 0.059925 Li\n0.745697 0.508695 0.751444 Li\n0.245610 0.508695 0.251441 Li\n0.188609 0.622792 0.937137 Mn\n0.688603 0.622791 0.437136 Mn\n0.499341 0.001281 0.010198 V\n0.734438 0.001261 0.245195 V\n0.264373 0.001333 0.245250 V\n0.234308 0.001329 0.745239 V\n0.764312 0.001263 0.745207 V\n-0.000642 0.001281 0.510199 V\n0.120977 0.222210 0.626344 O\n0.338945 0.788252 0.375727 O\n0.838942 0.788301 0.875740 O\n0.872756 0.788303 0.375741 O\n0.372805 0.788254 0.875728 O\n0.620932 0.222232 0.126355 O\n0.156807 0.222212 0.126347 O\n0.620807 0.758407 0.126396 O\n0.388877 0.222240 0.358420 O\n0.888885 0.222238 0.858419 O\n0.892420 0.215209 0.369204 O\n0.392367 0.215209 0.869204 O\n0.605869 0.788265 0.642665 O\n0.120789 0.758407 0.626395 O\n0.656830 0.222233 0.626358 O\n0.105872 0.788265 0.142665 O\n",
"nsites": 28,
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"elements": [
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"V",
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],
"chemical_system": "Li-Mn-O-V",
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"density_atomic": 0.09895500504287365,
"volume": 282.9568851809831,
"volume_molar": 6.0857363984679935,
"formula_full": "Li4 Mn2 V6 O16",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1822319886699506,
"spacegroup": 160
},
{
"id": "jvasp-67163",
"created_at": "2022-09-04T14:35:50.679509Z",
"updated_at": "2022-09-04T14:35:50.679544Z",
"structure_string": "Be2 Cr1 Br1\n1.0\n3.085412 0.000000 0.000000\n0.000000 3.085412 0.000000\n0.000000 0.000000 6.372425\nBe Cr Br\n2 1 1\ndirect\n0.000000 0.000000 0.019021 Be\n0.500000 0.500000 0.200395 Be\n0.500000 0.500000 0.852244 Cr\n0.000000 0.000000 0.428342 Br\n",
"nsites": 4,
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"elements": [
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"Cr",
"Br"
],
"chemical_system": "Be-Br-Cr",
"density": 4.103841141350045,
"density_atomic": 0.06593696147796034,
"volume": 60.66400256155289,
"volume_molar": 9.133179062266803,
"formula_full": "Be2 Cr1 Br1",
"formula_reduced": "Be2CrBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.23599092625,
"spacegroup": 99
},
{
"id": "jvasp-105482",
"created_at": "2022-09-04T14:37:00.287437Z",
"updated_at": "2022-09-04T14:37:00.287457Z",
"structure_string": "In2 S3\n1.0\n5.153952 -0.014677 -4.591462\n-0.385356 3.759025 -5.776348\n-0.132036 0.014677 6.901255\nIn S\n2 3\ndirect\n0.666803 0.656791 0.010010 In\n0.353220 0.343207 0.010010 In\n0.378623 0.156301 0.222323 S\n0.066022 0.843698 0.222322 S\n0.785330 0.499999 0.285330 S\n",
"nsites": 5,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 4.103951466417158,
"density_atomic": 0.03792544817944481,
"volume": 131.83759823595037,
"volume_molar": 15.878891480744416,
"formula_full": "In2 S3",
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"formula_anonymous": "A2B3",
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"spacegroup": 44
},
{
"id": "jvasp-115596",
"created_at": "2022-09-04T14:38:47.303652Z",
"updated_at": "2022-09-04T14:38:47.303671Z",
"structure_string": "Ba2 O1\n1.0\n7.168259 -0.556272 -0.292917\n-0.483510 -7.200827 2.111278\n0.111950 2.988247 -3.137099\nBa O\n2 1\ndirect\n0.188124 0.593095 -0.002491 Ba\n0.735965 0.929051 0.003115 Ba\n0.081220 0.927669 -0.000021 O\n",
"nsites": 3,
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"elements": [
"Ba",
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"chemical_system": "Ba-O",
"density": 4.103968792980101,
"density_atomic": 0.025509432631286275,
"volume": 117.60355643193031,
"volume_molar": 23.607505690322924,
"formula_full": "Ba2 O1",
"formula_reduced": "Ba2O",
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"spacegroup": 156
},
{
"id": "jvasp-42824",
"created_at": "2022-09-04T14:35:56.668018Z",
"updated_at": "2022-09-04T14:35:56.668048Z",
"structure_string": "Li2 Ti2 Mn2 O8\n1.0\n5.775131 -0.000000 -0.000000\n2.887566 5.059169 -0.064694\n2.887566 1.625395 4.791395\nLi Ti Mn O\n2 2 2 8\ndirect\n0.124918 0.125082 0.125082 Li\n0.875083 0.874918 0.874918 Li\n0.500001 -0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000001 0.500000 0.500000 Mn\n0.500001 0.500000 0.500000 Mn\n0.260471 0.260735 0.260735 O\n0.257869 0.270736 0.713527 O\n0.257868 0.713527 0.270736 O\n0.718061 0.260735 0.260735 O\n0.281941 0.739265 0.739265 O\n0.742133 0.729264 0.286473 O\n0.742133 0.286472 0.729263 O\n0.739531 0.739265 0.739265 O\n",
"nsites": 14,
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"elements": [
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"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.1039792645185535,
"density_atomic": 0.09957382079163256,
"volume": 140.59920457703734,
"volume_molar": 6.0479157193353945,
"formula_full": "Li2 Ti2 Mn2 O8",
"formula_reduced": "LiTiMnO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-99727",
"created_at": "2022-09-04T14:36:31.999897Z",
"updated_at": "2022-09-04T14:36:31.999916Z",
"structure_string": "Rb2 Y1 Hg1 Br6\n1.0\n7.042647 -0.000000 4.066074\n2.347549 6.639871 4.066074\n-0.000000 -0.000000 8.132148\nRb Y Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Hg\n0.759421 0.240579 0.240579 Br\n0.240579 0.240579 0.759421 Br\n0.240580 0.759421 0.759420 Br\n0.240580 0.759421 0.240579 Br\n0.759421 0.240579 0.759420 Br\n0.759421 0.759421 0.240578 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Hg",
"Br"
],
"chemical_system": "Br-Hg-Rb-Y",
"density": 4.1040186438114565,
"density_atomic": 0.02629657354568499,
"volume": 380.2776807642645,
"volume_molar": 22.900857214487456,
"formula_full": "Rb2 Y1 Hg1 Br6",
"formula_reduced": "Rb2YHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36960",
"created_at": "2022-09-04T14:37:58.338334Z",
"updated_at": "2022-09-04T14:37:58.338359Z",
"structure_string": "Rb4 Ca4 I12\n1.0\n4.637942 -0.000000 0.000000\n-0.000000 10.354578 0.000000\n0.000000 0.000000 17.060312\nRb Ca I\n4 4 12\ndirect\n0.750000 0.071631 0.323689 Rb\n0.250000 0.928369 0.676311 Rb\n0.750000 0.571632 0.176311 Rb\n0.250000 0.428369 0.823689 Rb\n0.250000 0.167056 0.056142 Ca\n0.750000 0.832944 0.943858 Ca\n0.250000 0.667056 0.443858 Ca\n0.750000 0.332944 0.556142 Ca\n0.750000 0.704570 0.783735 I\n0.250000 0.295431 0.216265 I\n0.750000 0.476344 0.392740 I\n0.250000 0.523656 0.607260 I\n0.750000 0.976344 0.107260 I\n0.250000 0.662510 0.010649 I\n0.250000 0.162510 0.489351 I\n0.750000 0.837490 0.510648 I\n0.250000 0.795431 0.283735 I\n0.750000 0.337490 0.989351 I\n0.250000 0.023656 0.892740 I\n0.750000 0.204569 0.716265 I\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.104283383818749,
"density_atomic": 0.024410985298249813,
"volume": 819.3032667728464,
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"formula_full": "Rb4 Ca4 I12",
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"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-38012",
"created_at": "2022-09-04T14:37:28.797270Z",
"updated_at": "2022-09-04T14:37:28.797298Z",
"structure_string": "Ba3 Si6 N2 O12\n1.0\n6.529272 -0.000375 -0.000125\n0.000585 7.567935 0.000202\n0.000447 3.783755 6.554230\nBa Si N O\n3 6 2 12\ndirect\n0.895293 0.333337 0.333334 Ba\n0.104707 0.666664 0.666665 Ba\n0.000000 0.000000 0.000000 Ba\n0.611349 0.764042 0.829379 Si\n0.611352 0.829372 0.406594 Si\n0.611350 0.406587 0.764031 Si\n0.388652 0.235959 0.170620 Si\n0.388649 0.170630 0.593405 Si\n0.388650 0.593414 0.235968 Si\n0.434459 0.333334 0.333325 N\n0.565542 0.666667 0.666674 N\n0.591439 0.016056 0.682152 O\n0.408561 0.698223 0.983953 O\n0.408558 0.317860 0.698189 O\n0.408562 0.983945 0.317847 O\n0.829547 0.360587 0.698762 O\n0.170455 0.301226 0.059355 O\n0.829546 0.698775 0.940644 O\n0.170453 0.639414 0.301237 O\n0.170453 0.059363 0.639407 O\n0.591443 0.682141 0.301810 O\n0.829548 0.940638 0.360592 O\n0.591440 0.301778 0.016046 O\n",
"nsites": 23,
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"elements": [
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],
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"density": 4.104435170045593,
"density_atomic": 0.07101836900047888,
"volume": 323.85987349054597,
"volume_molar": 8.479694542068959,
"formula_full": "Ba3 Si6 N2 O12",
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"formula_anonymous": "A2B3C6D12",
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"spacegroup": 147
},
{
"id": "jvasp-68998",
"created_at": "2022-09-04T14:36:16.882857Z",
"updated_at": "2022-09-04T14:36:16.882877Z",
"structure_string": "Ba1 Sr1 Y2\n1.0\n4.249186 0.000000 0.000000\n0.000000 4.249186 0.000000\n0.000000 -0.000000 9.024188\nBa Sr Y\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.731865 Y\n0.000000 0.000000 0.268135 Y\n",
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"volume": 162.93696337261886,
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"formula_full": "Ba1 Sr1 Y2",
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"spacegroup": 123
},
{
"id": "jvasp-114088",
"created_at": "2022-09-04T14:38:50.017348Z",
"updated_at": "2022-09-04T14:38:50.017382Z",
"structure_string": "Ba2 Te2\n1.0\n5.985515 0.581247 -0.120127\n0.691430 -6.846113 1.311480\n2.315464 6.180867 -6.368303\nBa Te\n2 2\ndirect\n0.129687 0.051273 -0.018528 Ba\n0.793847 0.224772 0.654996 Ba\n0.793603 0.725668 0.655884 Te\n0.129933 0.550389 0.980584 Te\n",
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"density": 4.10480079817406,
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"volume": 214.344936540077,
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"spacegroup": 63
},
{
"id": "jvasp-43161",
"created_at": "2022-09-04T14:36:52.180944Z",
"updated_at": "2022-09-04T14:36:52.180964Z",
"structure_string": "Li2 Co1 O2\n1.0\n3.087439 -0.000000 -0.000000\n-1.543719 2.675770 0.000357\n-0.000000 0.000649 5.132446\nLi Co O\n2 1 2\ndirect\n0.333329 0.666739 0.641100 Li\n0.666590 0.333261 0.358901 Li\n0.999960 0.000000 0.000000 Co\n0.333393 0.666863 0.241300 O\n0.666529 0.333137 0.758701 O\n",
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],
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"volume": 42.4005555973992,
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"formula_full": "Li2 Co1 O2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
}
]
}