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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4113",
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"results": [
{
"id": "jvasp-108572",
"created_at": "2022-09-04T14:38:17.543588Z",
"updated_at": "2022-09-04T14:38:17.543614Z",
"structure_string": "Na2 In1 Cu1 Cl6\n1.0\n6.119170 -0.000000 3.532904\n2.039723 5.769209 3.532904\n-0.000000 -0.000000 7.065809\nNa In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745527 0.254473 0.254472 Cl\n0.254472 0.254473 0.745527 Cl\n0.254472 0.745528 0.745527 Cl\n0.254472 0.745528 0.254472 Cl\n0.745527 0.254473 0.745527 Cl\n0.745527 0.745528 0.254472 Cl\n",
"nsites": 10,
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{
"id": "jvasp-105685",
"created_at": "2022-09-04T14:35:50.279550Z",
"updated_at": "2022-09-04T14:35:50.279569Z",
"structure_string": "Rb3 Dy1 Cl6\n1.0\n6.918504 0.000000 3.994400\n2.306168 6.522828 3.994400\n-0.000000 -0.000000 7.988800\nRb Dy Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n0.768420 0.231580 0.231580 Cl\n0.231580 0.231580 0.768420 Cl\n0.231580 0.768420 0.768420 Cl\n0.231580 0.768420 0.231580 Cl\n0.768420 0.231580 0.768420 Cl\n0.768420 0.768420 0.231580 Cl\n",
"nsites": 10,
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"volume": 360.5202569044717,
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"formula_full": "Rb3 Dy1 Cl6",
"formula_reduced": "Rb3DyCl6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-12752",
"created_at": "2022-09-04T14:38:14.187004Z",
"updated_at": "2022-09-04T14:38:14.187026Z",
"structure_string": "Rb2 Ge2 Cl6\n1.0\n0.000000 5.774635 -0.098676\n6.983369 0.000000 0.000000\n0.000000 -2.332159 -7.446950\nRb Ge Cl\n2 2 6\ndirect\n0.673992 0.750000 0.296338 Rb\n0.326007 0.250000 0.703662 Rb\n0.935553 0.750000 0.884930 Ge\n0.064447 0.250000 0.115071 Ge\n0.340539 0.750000 0.868768 Cl\n0.659461 0.250000 0.131233 Cl\n0.186447 0.499913 0.323502 Cl\n0.813552 -0.000087 0.676498 Cl\n0.186447 0.000087 0.323502 Cl\n0.813552 0.500087 0.676498 Cl\n",
"nsites": 10,
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"elements": [
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"Ge",
"Cl"
],
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"density": 2.9091385327435577,
"density_atomic": 0.033121816690366894,
"volume": 301.91580653570816,
"volume_molar": 18.181794846269625,
"formula_full": "Rb2 Ge2 Cl6",
"formula_reduced": "RbGeCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 11
},
{
"id": "jvasp-119931",
"created_at": "2022-09-04T14:38:54.262029Z",
"updated_at": "2022-09-04T14:38:54.262056Z",
"structure_string": "Ba1 Ca1 Br1\n1.0\n5.995360 2.649922 0.000000\n3.360879 7.691847 0.000000\n0.000000 0.000000 3.947361\nBa Ca Br\n1 1 1\ndirect\n-0.047523 -0.042083 0.000000 Ba\n-0.047667 0.458052 0.000000 Ca\n0.452287 -0.041932 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"Ca",
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],
"chemical_system": "Ba-Br-Ca",
"density": 2.909011519843831,
"density_atomic": 0.020425026156506494,
"volume": 146.87863687480933,
"volume_molar": 29.484127529900945,
"formula_full": "Ba1 Ca1 Br1",
"formula_reduced": "BaCaBr",
"formula_anonymous": "ABC",
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"spacegroup": 10
},
{
"id": "jvasp-9423",
"created_at": "2022-09-04T14:36:42.299687Z",
"updated_at": "2022-09-04T14:36:42.299738Z",
"structure_string": "Li4 Ga4 S8\n1.0\n6.262687 0.000000 0.000000\n0.000000 6.552438 0.000000\n0.000000 0.000000 7.834132\nLi Ga S\n4 4 8\ndirect\n0.619134 0.585698 0.122551 Li\n0.119134 0.914302 0.622551 Li\n0.619134 0.085698 0.377449 Li\n0.119134 0.414302 0.877449 Li\n0.622114 0.574638 0.625856 Ga\n0.122114 0.425363 0.374144 Ga\n0.122114 0.925363 0.125856 Ga\n0.622114 0.074637 0.874144 Ga\n0.990487 0.069513 0.880841 S\n0.990487 0.569513 0.619158 S\n0.490487 0.930488 0.119159 S\n0.490487 0.430487 0.380841 S\n0.504475 0.907815 0.633234 S\n0.004475 0.092186 0.366766 S\n0.004475 0.592186 0.133234 S\n0.504475 0.407815 0.866766 S\n",
"nsites": 16,
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"elements": [
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"Ga",
"S"
],
"chemical_system": "Ga-Li-S",
"density": 2.9089665299508876,
"density_atomic": 0.049769751311978985,
"volume": 321.4804088472307,
"volume_molar": 12.10000171037733,
"formula_full": "Li4 Ga4 S8",
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{
"id": "jvasp-87971",
"created_at": "2022-09-04T14:36:19.937361Z",
"updated_at": "2022-09-04T14:36:19.937389Z",
"structure_string": "K16 Zn4 O12\n1.0\n6.961146 -0.042070 0.069427\n2.896021 8.106026 1.886813\n0.026860 0.012073 10.897112\nK Zn O\n16 4 12\ndirect\n0.162491 0.877611 0.621508 K\n0.900387 0.864593 0.203322 K\n0.837509 0.122389 0.378492 K\n0.223405 0.342494 0.009784 K\n0.622053 0.082519 0.883473 K\n0.377128 0.087178 0.336629 K\n0.622872 0.912822 0.663371 K\n0.022642 0.438723 0.294284 K\n0.977359 0.561277 0.705716 K\n0.489972 0.537266 0.801681 K\n0.510028 0.462735 0.198318 K\n0.690398 0.355949 0.587550 K\n0.776595 0.657506 0.990216 K\n0.377947 0.917481 0.116527 K\n0.309602 0.644051 0.412449 K\n0.099614 0.135407 0.796678 K\n0.833040 0.230221 0.060144 Zn\n0.166961 0.769779 0.939855 Zn\n0.284633 0.282136 0.563435 Zn\n0.715368 0.717864 0.436565 Zn\n0.061490 0.160453 0.181964 O\n0.938511 0.839547 0.818035 O\n0.352040 0.317915 0.722812 O\n0.395177 0.844617 0.889302 O\n0.604823 0.155383 0.110698 O\n0.148834 0.631104 0.098451 O\n0.851167 0.368896 0.901549 O\n0.446584 0.316973 0.422210 O\n0.553417 0.683027 0.577790 O\n0.071316 0.199771 0.533200 O\n0.928684 0.800230 0.466800 O\n0.647960 0.682085 0.277188 O\n",
"nsites": 32,
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"elements": [
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"Zn",
"O"
],
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"density": 2.908955284851587,
"density_atomic": 0.05194399473381372,
"volume": 616.0481142042224,
"volume_molar": 11.593526433344948,
"formula_full": "K16 Zn4 O12",
"formula_reduced": "K4ZnO3",
"formula_anonymous": "AB3C4",
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"spacegroup": 2
},
{
"id": "jvasp-44768",
"created_at": "2022-09-04T14:38:10.877099Z",
"updated_at": "2022-09-04T14:38:10.877115Z",
"structure_string": "Na12 Ni4 O8\n1.0\n0.000000 5.719251 -0.068504\n8.722446 0.000000 0.000000\n0.000000 -2.909499 -7.273126\nNa Ni O\n12 4 8\ndirect\n0.266495 0.284131 0.189969 Na\n0.236477 0.966891 0.372914 Na\n0.255014 0.536989 0.498100 Na\n0.266495 0.215870 0.689969 Na\n0.236477 0.533110 0.872914 Na\n0.255014 0.963012 -0.001901 Na\n0.733505 0.715870 0.810031 Na\n0.763522 0.466891 0.127086 Na\n0.733505 0.784131 0.310031 Na\n0.744986 0.463012 0.501900 Na\n0.763522 0.033110 0.627086 Na\n0.744986 0.036989 0.001900 Na\n0.200607 0.822596 0.670372 Ni\n0.799393 0.322596 0.829629 Ni\n0.200607 0.677405 0.170371 Ni\n0.799393 0.177404 0.329628 Ni\n0.445818 0.960118 0.724393 O\n0.445818 0.539883 0.224392 O\n0.554182 0.039883 0.275607 O\n0.034441 0.179710 0.888652 O\n0.965559 0.679710 0.611348 O\n0.034441 0.320290 0.388652 O\n0.965559 0.820290 0.111348 O\n0.554182 0.460117 0.775608 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 2.908940202177661,
"density_atomic": 0.06583195011616369,
"volume": 364.56462185383884,
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"formula_full": "Na12 Ni4 O8",
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"formula_anonymous": "AB2C3",
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"spacegroup": 14
},
{
"id": "jvasp-119368",
"created_at": "2022-09-04T14:38:31.577303Z",
"updated_at": "2022-09-04T14:38:31.577326Z",
"structure_string": "Li2 Mn4 P4 H2 O16\n1.0\n5.100326 0.051778 0.818702\n-2.535408 7.941347 0.721813\n-0.370757 -0.123159 8.571202\nLi Mn P H O\n2 4 4 2 16\ndirect\n0.632604 0.318622 0.171503 Li\n0.367396 0.681378 0.828496 Li\n0.760806 0.413099 0.780684 Mn\n0.239193 0.586901 0.219315 Mn\n0.296576 0.110585 0.609656 Mn\n0.703425 0.889416 0.390344 Mn\n0.142893 0.739801 0.562335 P\n0.857108 0.260201 0.437664 P\n0.850327 0.738806 0.061388 P\n0.149673 0.261194 0.938612 P\n0.864222 0.924284 0.864243 H\n0.135777 0.075715 0.135755 H\n0.695874 0.261776 0.604417 O\n0.338589 0.876045 0.641397 O\n0.661411 0.123955 0.358602 O\n0.244131 0.195130 0.098561 O\n0.755869 0.804870 0.901438 O\n0.304125 0.738225 0.395583 O\n0.883060 0.307227 0.979410 O\n0.891432 0.879968 0.168025 O\n0.127048 0.222731 0.453593 O\n0.872953 0.777271 0.546406 O\n0.615170 0.582277 0.131245 O\n0.384830 0.417723 0.868754 O\n0.898334 0.425320 0.330459 O\n0.108568 0.120032 0.831974 O\n0.116940 0.692773 0.020590 O\n0.101665 0.574681 0.669541 O\n",
"nsites": 28,
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"elements": [
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],
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"volume": 351.3942483752987,
"volume_molar": 7.557662949894465,
"formula_full": "Li2 Mn4 P4 H2 O16",
"formula_reduced": "LiMn2P2HO8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 3.121965248768473,
"spacegroup": 2
},
{
"id": "jvasp-75001",
"created_at": "2022-09-04T14:35:49.313619Z",
"updated_at": "2022-09-04T14:35:49.313635Z",
"structure_string": "K2 Be1 Mo1\n1.0\n-2.644096 2.644096 3.738852\n2.644096 -2.644096 3.738852\n2.644096 2.644096 -3.738852\nK Be Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.750001 0.500001 K\n0.750001 0.250000 0.500001 Be\n0.500000 0.500000 0.000000 Mo\n",
"nsites": 4,
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"spacegroup": 216
},
{
"id": "jvasp-119375",
"created_at": "2022-09-04T14:38:31.895468Z",
"updated_at": "2022-09-04T14:38:31.895494Z",
"structure_string": "Li6 Mn2 P4 H2 O16\n1.0\n8.330685 0.000000 0.000000\n-0.000000 4.871343 1.192755\n-0.000000 0.087209 7.525702\nLi Mn P H O\n6 2 4 2 16\ndirect\n0.809753 0.065412 0.692441 Li\n0.655477 0.141391 0.377725 Li\n0.155476 0.858608 0.622275 Li\n0.309752 0.934587 0.307559 Li\n0.831758 0.605765 0.970944 Li\n0.331758 0.394235 0.029056 Li\n0.503220 0.761697 0.737859 Mn\n0.003220 0.238303 0.262141 Mn\n0.365640 0.375251 0.464308 P\n0.865640 0.624749 0.535692 P\n0.631859 0.121712 0.029948 P\n0.131858 0.878287 0.970052 P\n0.487431 0.680955 0.225981 H\n0.987432 0.319044 0.774019 H\n0.335479 0.630006 0.539133 O\n0.835479 0.369994 0.460867 O\n0.426469 0.490716 0.255710 O\n0.035125 0.635961 0.088366 O\n0.280292 0.765278 0.886323 O\n0.926469 0.509284 0.744291 O\n0.682342 0.920147 0.912286 O\n0.495122 0.180521 0.566257 O\n0.714865 0.791023 0.557996 O\n0.995122 0.819479 0.433744 O\n0.528701 0.968073 0.196909 O\n0.182342 0.079853 0.087715 O\n0.780292 0.234721 0.113677 O\n0.214865 0.208977 0.442004 O\n0.028701 0.031927 0.803091 O\n0.535125 0.364039 0.911634 O\n",
"nsites": 30,
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],
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"density_atomic": 0.09850966045806203,
"volume": 304.53866007153414,
"volume_molar": 6.113248926041901,
"formula_full": "Li6 Mn2 P4 H2 O16",
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},
{
"id": "jvasp-39218",
"created_at": "2022-09-04T14:37:47.282690Z",
"updated_at": "2022-09-04T14:37:47.282720Z",
"structure_string": "Li2 Mg1 Ge1\n1.0\n0.000000 3.162756 3.162756\n3.162756 0.000000 3.162756\n3.162756 3.162756 0.000000\nLi Mg Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500001 Li\n0.750000 0.750000 0.750000 Mg\n0.249999 0.249999 0.249999 Ge\n",
"nsites": 4,
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],
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"density": 2.9084902635069536,
"density_atomic": 0.06321686149397275,
"volume": 63.274257934829144,
"volume_molar": 9.5261621942022,
"formula_full": "Li2 Mg1 Ge1",
"formula_reduced": "Li2MgGe",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-38082",
"created_at": "2022-09-04T14:37:59.504716Z",
"updated_at": "2022-09-04T14:37:59.504741Z",
"structure_string": "Rb2 Na1 Sb1 Cl6\n1.0\n0.000000 5.323230 5.323230\n5.323230 0.000000 5.323230\n5.323230 5.323230 -0.000000\nRb Na Sb Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.248423 0.751577 0.751577 Cl\n0.248423 0.751577 0.248423 Cl\n0.751577 0.248423 0.751577 Cl\n0.751577 0.751577 0.248423 Cl\n0.248423 0.248423 0.751577 Cl\n0.751577 0.248423 0.248423 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.033147006320966815,
"volume": 301.68636959756446,
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"formula_full": "Rb2 Na1 Sb1 Cl6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}