HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=988",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=986",
"results": [
{
"id": "jvasp-112948",
"created_at": "2022-09-04T14:38:45.515261Z",
"updated_at": "2022-09-04T14:38:45.515291Z",
"structure_string": "Y2 Ga2 Fe15\n1.0\n6.282469 0.011647 0.849421\n0.743852 6.238288 0.849421\n0.013093 0.011647 6.339618\nY Ga Fe\n2 2 15\ndirect\n0.653318 0.653319 0.653318 Y\n0.346682 0.346682 0.346682 Y\n0.897603 0.897605 0.897604 Ga\n0.102396 0.102396 0.102396 Ga\n0.658876 0.658877 0.159742 Fe\n0.840258 0.341125 0.341124 Fe\n0.341123 0.840259 0.341124 Fe\n0.341123 0.341125 0.840258 Fe\n0.697218 0.302783 -0.000000 Fe\n-0.000000 0.697218 0.302782 Fe\n-0.000001 0.302783 0.697218 Fe\n0.658876 0.159743 0.658876 Fe\n0.697218 0.000001 0.302782 Fe\n0.302782 0.697218 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.302782 0.000001 0.697218 Fe\n0.159741 0.658877 0.658876 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Y",
"density": 7.7243127243455945,
"density_atomic": 0.07652576395235208,
"volume": 248.28239561032203,
"volume_molar": 7.869429129449292,
"formula_full": "Y2 Ga2 Fe15",
"formula_reduced": "Y2Ga2Fe15",
"formula_anonymous": "A2B2C15",
"energy_above_hull": 3.741365160526315,
"spacegroup": 166
},
{
"id": "jvasp-3495",
"created_at": "2022-09-04T14:36:16.666542Z",
"updated_at": "2022-09-04T14:36:16.666568Z",
"structure_string": "In2 Cu2 Te4\n1.0\n5.731973 -0.000000 -2.561264\n-1.144470 5.616556 -2.561264\n0.005176 0.006337 7.706142\nIn Cu Te\n2 2 4\ndirect\n0.500000 0.500000 0.000001 In\n0.750000 0.250000 0.500001 In\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750001 0.500001 Cu\n0.340652 0.375000 0.250000 Te\n0.125001 0.659349 0.750001 Te\n0.625000 0.090652 0.750000 Te\n0.909348 0.875001 0.250001 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Cu",
"Te"
],
"chemical_system": "Cu-In-Te",
"density": 5.799565675441726,
"density_atomic": 0.03222204874615435,
"volume": 248.2771987288607,
"volume_molar": 18.689502978046153,
"formula_full": "In2 Cu2 Te4",
"formula_reduced": "InCuTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1654214883333333,
"spacegroup": 122
},
{
"id": "jvasp-109916",
"created_at": "2022-09-04T14:38:26.789925Z",
"updated_at": "2022-09-04T14:38:26.789954Z",
"structure_string": "Ba1 Sc1 Cu3 Se4\n1.0\n6.285084 0.000000 0.000000\n0.000000 6.285084 0.000000\n-0.000000 -0.000000 6.285084\nBa Sc Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sc\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.226025 0.226025 0.226025 Se\n0.773974 0.773974 0.226025 Se\n0.226025 0.773974 0.773974 Se\n0.773974 0.226025 0.773974 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"Cu",
"Se"
],
"chemical_system": "Ba-Cu-Sc-Se",
"density": 4.6066405981120075,
"density_atomic": 0.03625010344654007,
"volume": 248.2751535667415,
"volume_molar": 16.612754688772593,
"formula_full": "Ba1 Sc1 Cu3 Se4",
"formula_reduced": "BaScCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7802073374074072,
"spacegroup": 215
},
{
"id": "jvasp-52844",
"created_at": "2022-09-04T14:37:09.659047Z",
"updated_at": "2022-09-04T14:37:09.659066Z",
"structure_string": "Na4 H4 C4 O12\n1.0\n0.000000 3.422984 -0.023299\n9.739693 0.000000 0.000000\n0.000000 -2.915614 -7.427077\nNa H C O\n4 4 4 12\ndirect\n0.424830 0.504096 0.212751 Na\n0.575169 0.004096 0.287249 Na\n0.575170 0.495904 0.787249 Na\n0.424831 0.995904 0.712751 Na\n0.694399 0.741426 0.654375 H\n0.305602 0.241426 0.845626 H\n0.305601 0.258574 0.345625 H\n0.694398 0.758574 0.154375 H\n0.784184 0.261687 0.573322 C\n0.215817 0.761687 0.926679 C\n0.215817 0.738312 0.426679 C\n0.784183 0.238312 0.073321 C\n0.500295 0.328631 0.435335 O\n0.194922 0.868026 0.431235 O\n0.805077 0.368026 0.068766 O\n0.805078 0.131974 0.568766 O\n0.194923 0.631974 0.931235 O\n0.988179 0.662765 0.297026 O\n0.011821 0.162765 0.202975 O\n0.011821 0.337235 0.702975 O\n0.988180 0.837235 0.797026 O\n0.499705 0.671369 0.564666 O\n0.500296 0.171369 0.935335 O\n0.499704 0.828631 0.064665 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"H",
"C",
"O"
],
"chemical_system": "C-H-Na-O",
"density": 2.2474786372441,
"density_atomic": 0.09666834190254485,
"volume": 248.27155951630309,
"volume_molar": 6.229692825466228,
"formula_full": "Na4 H4 C4 O12",
"formula_reduced": "NaHCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.53564325,
"spacegroup": 14
},
{
"id": "jvasp-90663",
"created_at": "2022-09-04T14:36:13.772981Z",
"updated_at": "2022-09-04T14:36:13.773002Z",
"structure_string": "Cu2 Sn1 Hg1 Te4\n1.0\n6.314310 -0.000000 0.000000\n-0.000000 6.314310 0.000000\n-3.157156 -3.157156 6.226754\nCu Sn Hg Te\n2 1 1 4\ndirect\n0.749999 0.249999 0.500000 Cu\n0.249999 0.749999 0.500000 Cu\n0.500000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.891083 0.891083 0.286079 Te\n0.394997 0.394997 0.286079 Te\n0.108916 0.605002 0.713920 Te\n0.605002 0.108916 0.713920 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cu",
"Sn",
"Hg",
"Te"
],
"chemical_system": "Cu-Hg-Sn-Te",
"density": 6.399604351941225,
"density_atomic": 0.03222377965452638,
"volume": 248.26386245712376,
"volume_molar": 18.688499066725985,
"formula_full": "Cu2 Sn1 Hg1 Te4",
"formula_reduced": "Cu2SnHgTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.2127722833333334,
"spacegroup": 121
},
{
"id": "jvasp-88621",
"created_at": "2022-09-04T14:35:51.444605Z",
"updated_at": "2022-09-04T14:35:51.444628Z",
"structure_string": "B4 H12 O12\n1.0\n6.798783 -0.030587 -1.509461\n-3.562630 5.961464 -0.039685\n-0.208543 0.141605 6.168447\nB H O\n4 12 12\ndirect\n0.313654 0.548991 0.734496 B\n0.686345 0.451007 0.265504 B\n0.656564 0.221899 0.765297 B\n0.343435 0.778099 0.234703 B\n0.727614 0.761050 0.266446 H\n0.272385 0.238948 0.733554 H\n0.922606 0.179829 0.755948 H\n0.656507 0.049310 0.244579 H\n0.343492 0.950688 0.755421 H\n0.077393 0.820169 0.244052 H\n0.047068 0.591749 0.742365 H\n0.369682 0.177833 0.240175 H\n0.630317 0.822165 0.759825 H\n0.307117 0.469161 0.248396 H\n0.692882 0.530837 0.751604 H\n0.952931 0.408249 0.257634 H\n0.239322 0.902778 0.227489 O\n0.760677 0.097220 0.772510 O\n0.219711 0.549875 0.242483 O\n0.780288 0.450123 0.757517 O\n0.815937 0.680833 0.278383 O\n0.213686 0.676054 0.739591 O\n0.786313 0.323944 0.260409 O\n0.455181 0.346622 0.253926 O\n0.544818 0.653376 0.746073 O\n0.427593 0.118904 0.761674 O\n0.184062 0.319165 0.721617 O\n0.572406 0.881094 0.238325 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"B",
"H",
"O"
],
"chemical_system": "B-H-O",
"density": 1.6543180870245229,
"density_atomic": 0.1127840022972016,
"volume": 248.26215978943617,
"volume_molar": 5.339534541548559,
"formula_full": "B4 H12 O12",
"formula_reduced": "B(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.941401869047619,
"spacegroup": 2
},
{
"id": "jvasp-9858",
"created_at": "2022-09-04T14:37:35.804798Z",
"updated_at": "2022-09-04T14:37:35.804816Z",
"structure_string": "Ca4 Al2 Sb2 O10\n1.0\n5.565718 0.000795 0.020078\n-0.000806 5.873850 -0.003983\n-2.181183 -2.932132 7.587959\nCa Al Sb O\n4 2 2 10\ndirect\n0.176574 0.645760 0.252088 Ca\n0.393729 0.894807 0.740197 Ca\n0.893729 0.343272 0.740206 Ca\n0.676578 0.104208 0.252085 Ca\n0.260504 0.303765 0.483932 Al\n0.760504 0.678043 0.483931 Al\n0.537938 0.487432 0.006928 Sb\n0.037945 0.017370 0.006927 Sb\n0.376168 0.284752 0.117226 O\n0.192076 0.640778 0.979040 O\n0.711266 0.950375 0.636545 O\n0.142165 0.052519 0.276110 O\n0.573113 0.435163 0.507807 O\n0.642183 0.721479 0.276110 O\n0.073110 0.570516 0.507803 O\n0.876170 0.330346 0.117212 O\n0.211266 0.184055 0.636549 O\n0.692070 0.836140 0.979030 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Sb",
"O"
],
"chemical_system": "Al-Ca-O-Sb",
"density": 4.132223189944278,
"density_atomic": 0.07250483236339837,
"volume": 248.2593147692966,
"volume_molar": 8.305847436232504,
"formula_full": "Ca4 Al2 Sb2 O10",
"formula_reduced": "Ca2AlSbO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6063496933333332,
"spacegroup": 9
},
{
"id": "jvasp-120477",
"created_at": "2022-09-04T14:38:52.790918Z",
"updated_at": "2022-09-04T14:38:52.790945Z",
"structure_string": "K1 Li1 Al2 Si4 O10 F2\n1.0\n5.289807 -0.005804 0.499156\n-2.718660 4.537728 0.499156\n-0.008150 -0.014365 10.344890\nK Li Al Si O F\n1 1 2 4 10 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.830140 0.169861 0.500000 Al\n0.169861 0.830139 0.500000 Al\n0.585721 0.248953 0.231384 Si\n0.414279 0.751047 0.768617 Si\n0.751047 0.414279 0.768617 Si\n0.248953 0.585721 0.231384 Si\n0.546233 0.546232 0.824584 O\n0.453768 0.453768 0.175417 O\n0.171460 0.537112 0.396838 O\n0.828541 0.462889 0.603163 O\n0.462889 0.828541 0.603163 O\n0.571853 0.059600 0.831700 O\n0.940401 0.428148 0.168300 O\n0.059600 0.571852 0.831701 O\n0.428148 0.940400 0.168300 O\n0.537112 0.171460 0.396838 O\n0.878498 0.878498 0.412126 F\n0.121503 0.121502 0.587875 F\n",
"nsites": 20,
"nelements": 6,
"elements": [
"K",
"Li",
"Al",
"Si",
"O",
"F"
],
"chemical_system": "Al-F-K-Li-O-Si",
"density": 2.7449626924377477,
"density_atomic": 0.08057096920373032,
"volume": 248.22836559689824,
"volume_molar": 7.474330791246314,
"formula_full": "K1 Li1 Al2 Si4 O10 F2",
"formula_reduced": "KLiAl2Si4(O5F)2",
"formula_anonymous": "ABC2D2E4F10",
"energy_above_hull": 2.35972067825,
"spacegroup": 12
},
{
"id": "jvasp-38263",
"created_at": "2022-09-04T14:37:41.075949Z",
"updated_at": "2022-09-04T14:37:41.075967Z",
"structure_string": "Rb3 Dy1\n1.0\n6.284677 -0.000000 0.000000\n0.000000 6.284677 0.000000\n-0.000000 0.000000 6.284677\nRb Dy\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Dy"
],
"chemical_system": "Dy-Rb",
"density": 2.802296578015264,
"density_atomic": 0.01611428739886682,
"volume": 248.22692440506464,
"volume_molar": 37.37143697972947,
"formula_full": "Rb3 Dy1",
"formula_reduced": "Rb3Dy",
"formula_anonymous": "AB3",
"energy_above_hull": 2.000000000002e-05,
"spacegroup": 221
},
{
"id": "jvasp-12384",
"created_at": "2022-09-04T14:38:06.285486Z",
"updated_at": "2022-09-04T14:38:06.285510Z",
"structure_string": "Rb4 Pb2 O6\n1.0\n6.117326 0.000000 0.000000\n0.000000 6.162082 -2.417757\n0.000000 -0.086343 6.618864\nRb Pb O\n4 2 6\ndirect\n0.267295 0.481573 0.807041 Rb\n0.767296 0.192959 0.518426 Rb\n0.767296 0.518427 0.192958 Rb\n0.267295 0.807042 0.481572 Rb\n0.741318 0.904442 0.904441 Pb\n0.241318 0.095558 0.095558 Pb\n0.659641 0.634280 0.634280 O\n0.159641 0.365720 0.365719 O\n0.002226 0.845319 0.107496 O\n0.502226 0.154681 0.892503 O\n0.002226 0.107497 0.845319 O\n0.502226 0.892503 0.154680 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Rb",
"density": 5.701394513715443,
"density_atomic": 0.048343408058808934,
"volume": 248.22412158866013,
"volume_molar": 12.457005001952217,
"formula_full": "Rb4 Pb2 O6",
"formula_reduced": "Rb2PbO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.80677022,
"spacegroup": 36
},
{
"id": "jvasp-33814",
"created_at": "2022-09-04T14:38:03.968793Z",
"updated_at": "2022-09-04T14:38:03.968814Z",
"structure_string": "Ho2 Cl6\n1.0\n8.949740 0.000001 -0.000000\n-4.474868 7.750700 0.000000\n-0.000000 -0.000000 3.578257\nHo Cl\n2 6\ndirect\n0.333333 0.666667 0.750001 Ho\n0.666667 0.333333 0.249998 Ho\n0.207197 0.414394 0.249998 Cl\n0.585605 0.792803 0.249998 Cl\n0.207198 0.792803 0.249998 Cl\n0.792803 0.585606 0.750001 Cl\n0.414394 0.207197 0.750001 Cl\n0.792804 0.207197 0.750001 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Cl"
],
"chemical_system": "Cl-Ho",
"density": 3.6298517371987167,
"density_atomic": 0.032230503002322934,
"volume": 248.212074115735,
"volume_molar": 18.684600608206356,
"formula_full": "Ho2 Cl6",
"formula_reduced": "HoCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-64807",
"created_at": "2022-09-04T14:35:59.362417Z",
"updated_at": "2022-09-04T14:35:59.362443Z",
"structure_string": "Ba4 Sb1 Br1\n1.0\n-0.000000 4.988039 4.988039\n4.988039 0.000000 4.988039\n4.988039 4.988039 0.000000\nBa Sb Br\n4 1 1\ndirect\n0.121853 0.626049 0.626049 Ba\n0.626049 0.626049 0.626049 Ba\n0.626049 0.121853 0.626049 Ba\n0.626049 0.626049 0.121853 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Br"
],
"chemical_system": "Ba-Br-Sb",
"density": 5.0240427375033,
"density_atomic": 0.024173065754746852,
"volume": 248.21013854321654,
"volume_molar": 24.912606539439192,
"formula_full": "Ba4 Sb1 Br1",
"formula_reduced": "Ba4SbBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1439469899999999,
"spacegroup": 216
}
]
}