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{
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"results": [
{
"id": "jvasp-11611",
"created_at": "2022-09-04T14:37:20.124959Z",
"updated_at": "2022-09-04T14:37:20.124982Z",
"structure_string": "Zn2 Cu1 As2 O8\n1.0\n-5.143490 0.019907 -0.049064\n2.030823 4.955688 0.030423\n-0.373850 -2.403410 -6.311256\nZn Cu As O\n2 1 2 8\ndirect\n0.766384 0.265737 0.815883 Zn\n0.233617 0.734264 0.184117 Zn\n0.500001 0.500001 0.500000 Cu\n0.134245 0.860615 0.725013 As\n0.865756 0.139386 0.274987 As\n0.731834 0.294088 0.509619 O\n0.268167 0.705913 0.490381 O\n0.634281 0.797647 0.147645 O\n0.365720 0.202354 0.852355 O\n0.909591 0.348129 0.121937 O\n0.813970 0.873367 0.666726 O\n0.186031 0.126634 0.333274 O\n0.090410 0.651872 0.878063 O\n",
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],
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"density": 4.873327943872567,
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"volume": 160.89837203100066,
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"formula_full": "Zn2 Cu1 As2 O8",
"formula_reduced": "Zn2Cu(AsO4)2",
"formula_anonymous": "AB2C2D8",
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{
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"updated_at": "2022-09-04T14:37:20.027262Z",
"structure_string": "Sr2 Cu1 P2 O8\n1.0\n5.115194 0.000000 0.000000\n-2.557597 5.548845 -1.643199\n0.000000 -0.016327 6.607234\nSr Cu P O\n2 1 2 8\ndirect\n0.170384 0.340768 0.217472 Sr\n0.829614 0.659231 0.782527 Sr\n0.499999 -0.000000 0.500000 Cu\n0.856094 0.712190 0.290030 P\n0.143904 0.287809 0.709969 P\n0.376570 0.263293 0.561412 O\n0.113276 0.736706 0.438586 O\n0.623428 0.736706 0.438586 O\n0.886722 0.263293 0.561412 O\n0.726715 0.453431 0.138516 O\n0.050027 0.100054 0.831138 O\n0.949971 0.899944 0.168861 O\n0.273283 0.546567 0.861483 O\n",
"nsites": 13,
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"P",
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],
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"density_atomic": 0.06937082846483196,
"volume": 187.39865571290449,
"volume_molar": 8.681085253368376,
"formula_full": "Sr2 Cu1 P2 O8",
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"formula_anonymous": "AB2C2D8",
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"spacegroup": 12
},
{
"id": "jvasp-21430",
"created_at": "2022-09-04T14:37:30.892977Z",
"updated_at": "2022-09-04T14:37:30.892998Z",
"structure_string": "Ca4 Be8 P8 O32\n1.0\n0.000000 7.845017 0.002359\n8.839444 0.000000 0.000000\n0.000000 -0.068576 -8.319258\nCa Be P O\n4 8 8 32\ndirect\n0.243722 0.586278 0.884149 Ca\n0.756277 0.086278 0.615851 Ca\n0.756278 0.413722 0.115851 Ca\n0.243722 0.913722 0.384149 Ca\n0.570364 0.804584 0.053934 Be\n0.069937 0.922831 0.765016 Be\n0.930063 0.422831 0.734984 Be\n0.930063 0.077169 0.234984 Be\n0.069937 0.577168 0.265016 Be\n0.429636 0.304585 0.446066 Be\n0.429636 0.195415 0.946066 Be\n0.570364 0.695415 0.553934 Be\n0.439005 0.581127 0.260658 P\n0.560995 0.081127 0.239342 P\n0.439004 0.918872 0.760659 P\n0.560995 0.418872 0.739342 P\n0.061380 0.301950 0.443057 P\n0.061379 0.198050 0.943057 P\n0.938620 0.698050 0.556943 P\n0.938621 0.801949 0.056943 P\n0.997248 0.410573 0.308326 O\n0.997248 0.089427 0.808326 O\n0.002752 0.589427 0.691674 O\n0.563654 0.631833 0.126954 O\n0.436346 0.131833 0.373046 O\n0.436346 0.368167 0.873046 O\n0.942463 0.636000 0.120288 O\n0.057537 0.136000 0.379712 O\n0.057537 0.364000 0.879713 O\n0.942463 0.864000 0.620288 O\n0.434347 0.692576 0.402634 O\n0.565653 0.192576 0.097366 O\n0.002752 0.910573 0.191674 O\n0.563654 0.868166 0.626955 O\n0.495207 0.575523 0.687936 O\n0.239503 0.154490 0.001180 O\n0.504793 0.424477 0.312065 O\n0.495207 0.924477 0.187935 O\n0.069041 0.690414 0.418427 O\n0.930959 0.190414 0.081573 O\n0.930959 0.309586 0.581574 O\n0.069040 0.809585 0.918427 O\n0.760497 0.845510 -0.001181 O\n0.239503 0.345510 0.501181 O\n0.565653 0.307424 0.597366 O\n0.760497 0.654490 0.498820 O\n0.741239 0.422604 0.818681 O\n0.741239 0.077396 0.318681 O\n0.258761 0.577396 0.181319 O\n0.258761 0.922604 0.681319 O\n0.504793 0.075523 0.812065 O\n0.434347 0.807424 0.902634 O\n",
"nsites": 52,
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"elements": [
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"O"
],
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"density": 2.855862972167737,
"density_atomic": 0.09013656202815966,
"volume": 576.9024115181431,
"volume_molar": 6.6811298595109685,
"formula_full": "Ca4 Be8 P8 O32",
"formula_reduced": "CaBe2(PO4)2",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 14
},
{
"id": "jvasp-57442",
"created_at": "2022-09-04T14:37:31.532243Z",
"updated_at": "2022-09-04T14:37:31.532259Z",
"structure_string": "Nd4 Cu2 Ge4 O16\n1.0\n5.199462 0.013888 -0.000125\n-0.122966 8.442519 -0.000252\n-2.538125 -4.227915 7.746059\nNd Cu Ge O\n4 2 4 16\ndirect\n0.348949 0.638482 0.758468 Nd\n0.580697 0.377074 0.240087 Nd\n0.340626 0.136988 0.759917 Nd\n0.590475 0.880014 0.241532 Nd\n0.771108 0.760866 0.586692 Cu\n0.184400 0.174165 0.413301 Cu\n0.772186 0.305839 0.578872 Ge\n0.922280 0.504000 0.000004 Ge\n0.004793 0.000819 -0.000003 Ge\n0.193315 0.726970 0.421132 Ge\n0.223103 0.838042 -0.000003 O\n0.891375 0.089876 0.187451 O\n0.825086 0.677385 0.343456 O\n0.386038 0.929842 0.466568 O\n0.229163 0.595885 0.184934 O\n0.147530 0.837358 0.651772 O\n0.481631 0.333930 0.656546 O\n0.716149 0.669973 0.000002 O\n0.044229 0.410953 0.815070 O\n0.495751 0.185588 0.348230 O\n0.213793 0.170932 0.000000 O\n0.919473 0.463272 0.533433 O\n0.716639 0.333971 0.000004 O\n0.938673 0.108614 0.517266 O\n0.703926 0.902429 0.812542 O\n0.421413 0.591353 0.482739 O\n",
"nsites": 26,
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],
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"density": 6.107360418570125,
"density_atomic": 0.07646378018767408,
"volume": 340.03027232220444,
"volume_molar": 7.875808317636335,
"formula_full": "Nd4 Cu2 Ge4 O16",
"formula_reduced": "Nd2Cu(GeO4)2",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 8
},
{
"id": "jvasp-42914",
"created_at": "2022-09-04T14:37:28.039823Z",
"updated_at": "2022-09-04T14:37:28.039849Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n0.000000 5.680002 -0.000015\n5.729154 0.000000 0.000000\n0.000000 -0.000022 -7.937244\nLi V Si O\n2 4 4 16\ndirect\n0.685738 0.500000 0.249998 Li\n0.314262 0.500000 0.750000 Li\n0.000000 0.273491 0.000000 V\n0.000000 0.726507 0.500000 V\n0.721385 0.000000 0.249999 V\n0.278615 0.000000 0.749999 V\n0.238859 0.755702 0.121136 Si\n0.238859 0.244296 0.378865 Si\n0.761141 0.244296 0.621134 Si\n0.761141 0.755702 0.878863 Si\n0.485166 0.233172 0.272271 O\n0.228843 0.008222 0.505217 O\n0.228844 0.991776 0.994783 O\n0.230174 0.513557 0.010281 O\n0.230174 0.486441 0.489720 O\n0.485165 0.766828 0.227729 O\n0.514835 0.766828 0.772270 O\n0.771157 0.008222 0.494782 O\n0.769826 0.513557 0.989718 O\n0.769826 0.486441 0.510279 O\n0.771156 0.991776 0.005216 O\n0.003780 0.237382 0.248179 O\n0.996221 0.762617 0.748179 O\n0.996220 0.237382 0.751819 O\n0.514834 0.233172 0.727728 O\n0.003779 0.762617 0.251820 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-O-Si-V",
"density": 3.767241582993602,
"density_atomic": 0.10066178604888022,
"volume": 258.2906683910287,
"volume_molar": 5.982549084789452,
"formula_full": "Li2 V4 Si4 O16",
"formula_reduced": "LiV2(SiO4)2",
"formula_anonymous": "AB2C2D8",
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},
{
"id": "jvasp-46736",
"created_at": "2022-09-04T14:38:03.464839Z",
"updated_at": "2022-09-04T14:38:03.464875Z",
"structure_string": "Li1 Co2 P2 O8\n1.0\n2.364017 1.928358 -4.047676\n-2.364017 4.482287 -0.106554\n4.726808 2.552813 3.939400\nLi Co P O\n1 2 2 8\ndirect\n0.499527 0.499527 0.000000 Li\n-0.002706 -0.002706 -0.000000 Co\n0.503622 0.503622 0.500000 Co\n0.009186 0.489903 0.746133 P\n0.489904 0.009186 0.253868 P\n0.561848 0.699578 0.257050 O\n0.187903 0.090887 0.225724 O\n0.631073 0.115198 0.066348 O\n0.131386 0.582595 0.551562 O\n0.115198 0.631072 0.933652 O\n0.582595 0.131386 0.448438 O\n0.090887 0.187902 0.774276 O\n0.699578 0.561848 0.742950 O\n",
"nsites": 13,
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"elements": [
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],
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"density": 3.082455564234344,
"density_atomic": 0.07666995059732762,
"volume": 169.5579545665329,
"volume_molar": 7.854629764441123,
"formula_full": "Li1 Co2 P2 O8",
"formula_reduced": "LiCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
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},
{
"id": "jvasp-46718",
"created_at": "2022-09-04T14:38:00.652506Z",
"updated_at": "2022-09-04T14:38:00.652533Z",
"structure_string": "Li1 Fe2 P2 O8\n1.0\n2.397278 1.979262 -4.054612\n-2.397278 4.511628 -0.050636\n4.787206 2.525916 3.993778\nLi Fe P O\n1 2 2 8\ndirect\n0.501618 0.501618 -0.000000 Li\n0.991195 0.991194 -0.000000 Fe\n0.510356 0.510356 0.500000 Fe\n0.485063 0.013401 0.252222 P\n0.013401 0.485063 0.747779 P\n0.561130 0.706672 0.254610 O\n0.136498 0.574697 0.554997 O\n0.626606 0.121375 0.067880 O\n0.185804 0.085589 0.223899 O\n0.085589 0.185804 0.776102 O\n0.121376 0.626606 0.932121 O\n0.574696 0.136498 0.445004 O\n0.706672 0.561129 0.745390 O\n",
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"density": 2.9432004986718643,
"density_atomic": 0.0746715491635254,
"volume": 174.09575863400022,
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"formula_full": "Li1 Fe2 P2 O8",
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{
"id": "jvasp-46739",
"created_at": "2022-09-04T14:38:02.354396Z",
"updated_at": "2022-09-04T14:38:02.354418Z",
"structure_string": "Li1 Fe2 P2 O8\n1.0\n4.836389 -0.109041 -0.018528\n-1.243751 -4.998027 -0.035261\n-1.836345 0.153303 -5.600517\nLi Fe P O\n1 2 2 8\ndirect\n0.337060 0.342113 -0.019870 Li\n-0.014450 0.227129 0.355328 Fe\n0.994529 0.762019 0.647555 Fe\n0.340050 0.814857 0.230537 P\n0.654512 0.171318 0.775348 P\n0.197528 0.634952 0.405776 O\n0.304908 0.132646 0.679151 O\n0.243928 0.085474 0.205802 O\n0.251741 0.676053 -0.013094 O\n0.738450 0.309858 0.019522 O\n0.750909 0.905920 0.796644 O\n0.687501 0.867836 0.335167 O\n0.798481 0.356808 0.602780 O\n",
"nsites": 13,
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"elements": [
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],
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"density_atomic": 0.09535674147553755,
"volume": 136.33016186207422,
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"formula_full": "Li1 Fe2 P2 O8",
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"formula_anonymous": "AB2C2D8",
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"spacegroup": 1
},
{
"id": "jvasp-48191",
"created_at": "2022-09-04T14:36:51.281808Z",
"updated_at": "2022-09-04T14:36:51.281820Z",
"structure_string": "Li4 P4 W2 O16\n1.0\n0.000000 5.829151 -0.001418\n4.876144 0.000000 0.000000\n0.000000 -0.002506 -10.100040\nLi P W O\n4 4 2 16\ndirect\n0.730801 0.684616 0.443757 Li\n0.730801 0.315383 0.943757 Li\n0.730683 0.272161 0.265462 Li\n0.730683 0.727838 0.765462 Li\n0.230771 0.392285 0.419726 P\n0.230771 0.607715 0.919726 P\n0.730777 0.827390 0.089204 P\n0.730776 0.172609 0.589204 P\n0.230774 0.184870 0.731806 W\n0.230775 0.815129 0.231806 W\n0.730764 0.924296 0.946863 O\n0.730764 0.075704 0.446863 O\n0.730771 0.479641 0.608093 O\n0.730772 0.520358 0.108093 O\n0.523224 0.029607 0.667838 O\n0.523225 0.970392 0.167838 O\n0.436234 0.451405 0.850485 O\n0.230782 0.558573 0.069162 O\n0.230764 0.913608 0.889281 O\n0.230764 0.086391 0.389281 O\n0.230781 0.441426 0.569162 O\n0.938333 0.970389 0.167829 O\n0.025316 0.451370 0.850496 O\n0.025316 0.548629 0.350496 O\n0.436234 0.548594 0.350485 O\n0.938333 0.029611 0.667829 O\n",
"nsites": 26,
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"elements": [
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"W",
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],
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"density": 4.484669352926738,
"density_atomic": 0.09056667005154409,
"volume": 287.081328983418,
"volume_molar": 6.649400664253888,
"formula_full": "Li4 P4 W2 O16",
"formula_reduced": "Li2P2WO8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.091003769230769,
"spacegroup": 26
},
{
"id": "jvasp-56825",
"created_at": "2022-09-04T14:36:50.376393Z",
"updated_at": "2022-09-04T14:36:50.376415Z",
"structure_string": "Rb2 Hg2 Pd1 Br8\n1.0\n6.684631 0.022477 1.935016\n2.861186 6.041390 1.935016\n-0.066775 -0.042418 10.236648\nRb Hg Pd Br\n2 2 1 8\ndirect\n0.399050 0.399050 0.828077 Rb\n0.600950 0.600950 0.171924 Rb\n0.133010 0.133010 0.602040 Hg\n0.866990 0.866990 0.397961 Hg\n0.000000 0.000000 0.000000 Pd\n0.353263 0.353263 0.497171 Br\n0.894303 0.379084 0.866517 Br\n0.088242 0.088242 0.303692 Br\n0.911759 0.911759 0.696309 Br\n0.646737 0.646737 0.502830 Br\n0.105696 0.620916 0.133484 Br\n0.620916 0.105696 0.133484 Br\n0.379084 0.894304 0.866517 Br\n",
"nsites": 13,
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"elements": [
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],
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"density": 5.287629048457458,
"density_atomic": 0.03141350595941488,
"volume": 413.83473773336635,
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"formula_full": "Rb2 Hg2 Pd1 Br8",
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{
"id": "jvasp-113070",
"created_at": "2022-09-04T14:38:46.519732Z",
"updated_at": "2022-09-04T14:38:46.519756Z",
"structure_string": "Nd4 Si4 Pb2 S16\n1.0\n8.121968 -0.060235 3.734761\n3.091138 7.510983 3.734761\n-0.041470 -0.027556 10.165764\nNd Si Pb S\n4 4 2 16\ndirect\n0.060640 0.254122 0.750497 Nd\n0.441588 0.560706 0.754803 Nd\n0.254123 0.060639 0.250497 Nd\n0.560707 0.441587 0.254803 Nd\n0.646231 0.176557 0.020238 Si\n0.176558 0.646230 0.520238 Si\n0.325961 0.851345 0.980433 Si\n0.851347 0.325959 0.480433 Si\n0.913103 0.753797 0.241043 Pb\n0.753799 0.913101 0.741043 Pb\n0.099098 0.569414 0.761360 S\n0.569415 0.099097 0.261360 S\n0.796007 0.532704 0.569561 S\n0.072541 0.103305 0.548663 S\n0.615220 0.272677 0.566492 S\n0.532705 0.796005 0.069561 S\n0.272678 0.615219 0.066492 S\n0.423625 0.236281 0.952756 S\n0.236282 0.423624 0.452756 S\n0.983689 0.877448 0.420220 S\n0.408450 0.709326 0.444205 S\n0.397241 0.918920 0.739726 S\n0.709328 0.408449 0.944205 S\n0.877451 0.983687 0.920220 S\n0.103306 0.072541 0.048664 S\n0.918922 0.397239 0.239726 S\n",
"nsites": 26,
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"elements": [
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],
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"formula_full": "Nd4 Si4 Pb2 S16",
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{
"id": "jvasp-113210",
"created_at": "2022-09-04T14:38:47.901357Z",
"updated_at": "2022-09-04T14:38:47.901390Z",
"structure_string": "Li1 Mn2 P2 O8\n1.0\n4.887867 -0.039003 0.124586\n-0.237601 4.882242 -0.124603\n0.042998 -0.041261 7.080957\nLi Mn P O\n1 2 2 8\ndirect\n0.493742 0.493741 0.000001 Li\n0.961384 0.961381 -0.000001 Mn\n0.549840 0.549842 0.500003 Mn\n0.479833 0.016245 0.250475 P\n0.016245 0.479832 0.749526 P\n0.562695 0.710760 0.239378 O\n0.638524 0.152633 0.076566 O\n0.147219 0.570644 0.561375 O\n0.171691 0.044797 0.222553 O\n0.044795 0.171687 0.777447 O\n0.570641 0.147219 0.438625 O\n0.152636 0.638523 0.923436 O\n0.710758 0.562697 0.760626 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.016572767896254,
"density_atomic": 0.07698561707802927,
"volume": 168.86271089863143,
"volume_molar": 7.8224231857441895,
"formula_full": "Li1 Mn2 P2 O8",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0910394986737404,
"spacegroup": 5
}
]
}