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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1029",
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"results": [
{
"id": "jvasp-23622",
"created_at": "2022-09-04T14:37:41.625738Z",
"updated_at": "2022-09-04T14:37:41.625760Z",
"structure_string": "K5 Pb24\n1.0\n10.186119 -0.000000 -3.601337\n-5.093059 8.821437 -3.601337\n-0.000000 0.000000 10.804010\nK Pb\n5 24\ndirect\n0.000000 0.000000 0.361451 K\n0.000000 0.361451 -0.000000 K\n0.361451 0.000000 -0.000000 K\n0.638549 0.638549 0.638548 K\n0.000000 0.000000 0.000000 K\n0.801336 0.610560 -0.000000 Pb\n0.000000 0.801336 0.610560 Pb\n0.809224 0.198664 0.198664 Pb\n0.680770 0.278165 0.680770 Pb\n0.721835 0.402605 0.402605 Pb\n0.402605 0.402605 0.721835 Pb\n0.597395 0.319230 -0.000000 Pb\n0.000000 0.319230 0.597395 Pb\n0.680771 0.680771 0.278165 Pb\n0.319230 0.597395 -0.000000 Pb\n0.597395 0.000000 0.319229 Pb\n0.000000 0.597395 0.319230 Pb\n0.610560 0.801336 -0.000000 Pb\n0.278165 0.680771 0.680770 Pb\n0.402605 0.721835 0.402605 Pb\n0.198664 0.198664 0.809224 Pb\n0.389440 0.190776 0.389440 Pb\n0.190776 0.389440 0.389440 Pb\n0.000000 0.610560 0.801336 Pb\n0.610560 0.000000 0.801336 Pb\n0.801336 0.000000 0.610560 Pb\n0.198664 0.809224 0.198664 Pb\n0.319230 0.000000 0.597395 Pb\n0.389440 0.389440 0.190776 Pb\n",
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"elements": [
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"volume": 970.8073593466346,
"volume_molar": 20.159788168377023,
"formula_full": "K5 Pb24",
"formula_reduced": "K5Pb24",
"formula_anonymous": "A5B24",
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{
"id": "jvasp-23542",
"created_at": "2022-09-04T14:37:39.006328Z",
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"structure_string": "K4 Pb8\n1.0\n3.360094 -5.819855 0.000000\n3.360094 5.819855 0.000000\n0.000000 0.000000 10.886315\nK Pb\n4 8\ndirect\n0.333332 0.666666 0.935403 K\n0.666666 0.333332 0.435403 K\n0.666666 0.333332 0.064597 K\n0.333332 0.666666 0.564598 K\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.832509 0.167489 0.750000 Pb\n0.167489 0.334978 0.250000 Pb\n0.665021 0.832509 0.250000 Pb\n0.334978 0.167489 0.750000 Pb\n0.832509 0.665021 0.750000 Pb\n0.167489 0.832509 0.250000 Pb\n",
"nsites": 12,
"nelements": 2,
"elements": [
"K",
"Pb"
],
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"density": 7.074736486381061,
"density_atomic": 0.02818426814981532,
"volume": 425.7694376243235,
"volume_molar": 21.367029038997636,
"formula_full": "K4 Pb8",
"formula_reduced": "KPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-107184",
"created_at": "2022-09-04T14:36:49.498528Z",
"updated_at": "2022-09-04T14:36:49.498548Z",
"structure_string": "K1 Pb3\n1.0\n5.053710 -0.000000 0.000000\n0.000000 5.053710 0.000000\n0.000000 0.000000 5.053710\nK Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 -0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
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],
"chemical_system": "K-Pb",
"density": 8.50004717508789,
"density_atomic": 0.030990532636581195,
"volume": 129.0716764021798,
"volume_molar": 19.43219508557743,
"formula_full": "K1 Pb3",
"formula_reduced": "KPb3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-78396",
"created_at": "2022-09-04T14:37:08.678105Z",
"updated_at": "2022-09-04T14:37:08.678125Z",
"structure_string": "K1 P1\n1.0\n-2.625890 -2.338283 -3.083342\n2.625890 -2.338283 3.083342\n-2.041041 2.338283 3.512551\nK P\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"P"
],
"chemical_system": "K-P",
"density": 1.603484496226947,
"density_atomic": 0.027561367741949457,
"volume": 72.56533923590169,
"volume_molar": 21.84993435878754,
"formula_full": "K1 P1",
"formula_reduced": "KP",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-10230",
"created_at": "2022-09-04T14:36:52.429416Z",
"updated_at": "2022-09-04T14:36:52.429435Z",
"structure_string": "K4 P6\n1.0\n5.939884 -0.044934 -2.205538\n-1.422803 5.767137 -2.205538\n0.014290 0.018103 8.267995\nK P\n4 6\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.729823 0.270177 -0.000000 K\n0.270177 0.729824 -0.000000 K\n0.701456 0.701457 0.845919 P\n0.855537 0.855538 0.154081 P\n0.298544 0.298544 0.154081 P\n0.144463 0.144463 0.845920 P\n0.845022 0.845023 0.690044 P\n0.154978 0.154978 0.309956 P\n",
"nsites": 10,
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"elements": [
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"chemical_system": "K-P",
"density": 2.006850169786276,
"density_atomic": 0.03531347450978724,
"volume": 283.1780259183635,
"volume_molar": 17.053379322193134,
"formula_full": "K4 P6",
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"formula_anonymous": "A2B3",
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"spacegroup": 69
},
{
"id": "jvasp-78382",
"created_at": "2022-09-04T14:37:52.380402Z",
"updated_at": "2022-09-04T14:37:52.380426Z",
"structure_string": "K1 P1\n1.0\n0.000000 -4.676843 0.000000\n3.504766 -2.338421 -2.046650\n3.091621 -2.338421 2.622611\nK P\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500000 0.500000 P\n",
"nsites": 2,
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"elements": [
"K",
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"chemical_system": "K-P",
"density": 1.6031514824395143,
"density_atomic": 0.027555643760532635,
"volume": 72.58041283232721,
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"formula_full": "K1 P1",
"formula_reduced": "KP",
"formula_anonymous": "AB",
"energy_above_hull": 0.9285335,
"spacegroup": 225
},
{
"id": "jvasp-10123",
"created_at": "2022-09-04T14:38:19.130817Z",
"updated_at": "2022-09-04T14:38:19.130850Z",
"structure_string": "K8 P8\n1.0\n6.067697 0.000000 0.000000\n0.000000 6.492230 0.000000\n0.000000 0.000000 11.233107\nK P\n8 8\ndirect\n0.397929 0.382278 0.914945 K\n0.897929 0.117722 0.085055 K\n0.602072 0.882278 0.585056 K\n0.102071 0.617722 0.414945 K\n0.668209 0.661483 0.221623 K\n0.168209 0.838517 0.778378 K\n0.331791 0.161483 0.278377 K\n0.831792 0.338517 0.721623 K\n0.169182 0.685424 0.105092 P\n0.669182 0.814576 0.894909 P\n0.830819 0.185424 0.394909 P\n0.330819 0.314576 0.605092 P\n0.904487 0.577098 0.972085 P\n0.404487 0.922902 0.027916 P\n0.095514 0.077098 0.527916 P\n0.595514 0.422902 0.472084 P\n",
"nsites": 16,
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"elements": [
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"chemical_system": "K-P",
"density": 2.103615216775293,
"density_atomic": 0.036157825481649475,
"volume": 442.50448656322516,
"volume_molar": 16.65515190634544,
"formula_full": "K8 P8",
"formula_reduced": "KP",
"formula_anonymous": "AB",
"energy_above_hull": 0.4438835000000001,
"spacegroup": 19
},
{
"id": "jvasp-56337",
"created_at": "2022-09-04T14:37:32.711930Z",
"updated_at": "2022-09-04T14:37:32.711959Z",
"structure_string": "K8 P12\n1.0\n7.538205 0.000000 3.356825\n3.769101 7.321844 1.678412\n-0.048736 0.000000 10.251882\nK P\n8 12\ndirect\n0.249115 0.250000 0.501768 K\n0.500883 0.250000 0.998231 K\n0.990168 0.750000 0.019662 K\n0.259831 0.750000 0.480338 K\n0.740168 0.250000 0.519662 K\n0.499116 0.750000 0.001768 K\n0.750884 0.750000 0.498231 K\n0.009831 0.250000 0.980338 K\n0.572519 0.399216 0.246008 P\n0.971735 0.600783 0.746008 P\n0.726301 0.547396 0.250000 P\n0.717742 0.100784 0.253992 P\n0.282257 0.899216 0.746008 P\n0.023699 0.952603 0.250000 P\n0.181474 0.100784 0.246008 P\n0.273698 0.452603 0.750000 P\n0.818525 0.899216 0.753992 P\n0.427480 0.600783 0.753992 P\n0.976300 0.047396 0.750000 P\n0.028264 0.399216 0.253992 P\n",
"nsites": 20,
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"elements": [
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"chemical_system": "K-P",
"density": 2.004444706552129,
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"volume": 567.0357157135487,
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"formula_full": "K8 P12",
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"spacegroup": 70
},
{
"id": "jvasp-8149",
"created_at": "2022-09-04T14:36:38.814002Z",
"updated_at": "2022-09-04T14:36:38.814028Z",
"structure_string": "K6 P2\n1.0\n2.828523 -4.899146 0.000000\n2.828523 4.899146 -0.000000\n-0.000000 0.000000 10.004372\nK P\n6 2\ndirect\n0.333332 0.666667 0.419808 K\n0.666667 0.333332 0.919807 K\n0.666667 0.333332 0.580192 K\n0.333332 0.666667 0.080192 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.666667 0.333332 0.250000 P\n0.333332 0.666667 0.750000 P\n",
"nsites": 8,
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"volume": 277.268111470564,
"volume_molar": 20.87184494418884,
"formula_full": "K6 P2",
"formula_reduced": "K3P",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-55939",
"created_at": "2022-09-04T14:38:08.700528Z",
"updated_at": "2022-09-04T14:38:08.700551Z",
"structure_string": "K4 Zr5 O12\n1.0\n2.929653 -5.074308 -0.000000\n2.929653 5.074308 -0.000000\n-0.000000 0.000000 10.505758\nK Zr O\n4 5 12\ndirect\n0.666667 0.333332 0.386754 K\n0.333332 0.666667 0.613246 K\n0.000000 0.000000 0.177904 K\n0.000000 0.000000 0.822096 K\n0.666667 0.333332 0.716751 Zr\n0.333332 0.666667 0.283249 Zr\n0.666667 0.333332 0.024284 Zr\n0.333332 0.666667 0.975716 Zr\n0.000000 0.000000 0.500000 Zr\n0.164847 0.835151 0.378426 O\n0.835151 0.164847 0.621574 O\n0.835151 0.670302 0.621574 O\n0.329697 0.164848 0.621574 O\n0.490548 0.509451 0.122891 O\n0.509452 0.018904 0.877109 O\n0.490547 0.981094 0.122891 O\n0.509451 0.490548 0.877109 O\n0.670302 0.835151 0.378426 O\n0.981094 0.490547 0.877109 O\n0.018904 0.509452 0.122891 O\n0.164848 0.329697 0.378426 O\n",
"nsites": 21,
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"elements": [
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],
"chemical_system": "K-O-Zr",
"density": 4.276889092300883,
"density_atomic": 0.06723089584049728,
"volume": 312.3563911720245,
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"formula_full": "K4 Zr5 O12",
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"formula_anonymous": "A4B5C12",
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"spacegroup": 164
},
{
"id": "jvasp-12905",
"created_at": "2022-09-04T14:38:14.096669Z",
"updated_at": "2022-09-04T14:38:14.096680Z",
"structure_string": "K4 Zn6 O8\n1.0\n5.674155 -0.005732 -1.191966\n-0.523962 5.844879 -2.522343\n-0.040679 -0.009710 8.073541\nK Zn O\n4 6 8\ndirect\n0.515707 0.764486 0.764037 K\n0.984295 0.000450 0.235963 K\n0.484294 0.235515 0.235964 K\n0.015706 -0.000449 0.764036 K\n0.584640 0.807180 0.380711 Zn\n0.415361 0.192820 0.619290 Zn\n0.915361 0.426469 0.619290 Zn\n0.750001 0.478977 0.000000 Zn\n0.250000 0.521024 0.000000 Zn\n0.084640 0.573532 0.380711 Zn\n0.717098 0.139918 0.531808 O\n0.955561 0.626288 0.886499 O\n0.544441 0.739788 0.113501 O\n0.044441 0.373713 0.113501 O\n0.455560 0.260212 0.886499 O\n0.282903 0.860083 0.468192 O\n0.217097 0.391890 0.531808 O\n0.782904 0.608110 0.468192 O\n",
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],
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"volume": 267.30368638385926,
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"formula_full": "K4 Zn6 O8",
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"energy_above_hull": 0.2292786444444447,
"spacegroup": 15
},
{
"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",
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"elements": [
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],
"chemical_system": "K-O-Zn",
"density": 2.908955284851587,
"density_atomic": 0.05194399473381372,
"volume": 616.0481142042224,
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"formula_full": "K16 Zn4 O12",
"formula_reduced": "K4ZnO3",
"formula_anonymous": "AB3C4",
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"spacegroup": 2
}
]
}