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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3833",
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"results": [
{
"id": "jvasp-30509",
"created_at": "2022-09-04T14:37:09.364408Z",
"updated_at": "2022-09-04T14:37:09.364431Z",
"structure_string": "Cu2 H2 O4\n1.0\n0.720839 2.899013 0.000000\n-0.000000 -0.000000 3.969612\n6.148403 0.010325 0.000000\nCu H O\n2 2 4\ndirect\n0.177287 0.459796 0.645422 Cu\n0.822710 0.959796 0.354578 Cu\n0.517690 0.260845 0.964616 H\n0.482307 0.760844 0.035384 H\n0.430363 0.967069 0.139274 O\n0.569634 0.467069 0.860726 O\n0.789822 0.461499 0.420352 O\n0.210175 0.961499 0.579648 O\n",
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{
"id": "jvasp-29789",
"created_at": "2022-09-04T14:37:09.821108Z",
"updated_at": "2022-09-04T14:37:09.821136Z",
"structure_string": "Cu2 H4 O4\n1.0\n1.492204 5.225412 0.000000\n-1.512010 5.221887 0.000000\n0.000000 0.000000 5.327090\nCu H O\n2 4 4\ndirect\n0.178952 0.179342 0.239394 Cu\n0.821047 0.820659 0.739394 Cu\n0.510461 0.511287 0.411412 H\n0.489538 0.488714 0.911412 H\n0.883990 0.882971 0.225517 H\n0.116009 0.117030 0.725517 H\n0.552642 0.553764 0.243967 O\n0.447356 0.446237 0.743967 O\n0.796974 0.796753 0.298244 O\n0.203025 0.203248 0.798244 O\n",
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{
"id": "jvasp-11782",
"created_at": "2022-09-04T14:37:09.984037Z",
"updated_at": "2022-09-04T14:37:09.984062Z",
"structure_string": "Rb4 Li2 V2 O8\n1.0\n5.882140 0.000000 -0.000000\n-2.941070 5.832106 -0.000000\n-0.000000 0.000000 7.906619\nRb Li V O\n4 2 2 8\ndirect\n0.604949 0.209900 0.550221 Rb\n0.395051 0.790101 0.050221 Rb\n0.938152 0.876303 0.408570 Rb\n0.061849 0.123697 0.908570 Rb\n0.799264 0.598527 0.829239 Li\n0.200737 0.401473 0.329239 Li\n0.309741 0.619482 0.611002 V\n0.690260 0.380519 0.111002 V\n0.404392 0.289614 0.218309 O\n0.595609 0.710387 0.718309 O\n0.633626 0.267252 0.908008 O\n0.366374 0.732748 0.408008 O\n0.885222 0.289614 0.218309 O\n0.114778 0.710387 0.718309 O\n0.162306 0.324613 0.577641 O\n0.837695 0.675388 0.077641 O\n",
"nsites": 16,
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"density_atomic": 0.058988642952468695,
"volume": 271.2386520383649,
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"formula_full": "Rb4 Li2 V2 O8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 36
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{
"id": "jvasp-49878",
"created_at": "2022-09-04T14:37:10.626122Z",
"updated_at": "2022-09-04T14:37:10.626137Z",
"structure_string": "Zr6 N4 O6\n1.0\n0.000000 3.986695 0.000000\n-5.395019 1.993348 -0.000000\n0.000000 -0.000000 10.836313\nZr N O\n6 4 6\ndirect\n0.134867 0.730266 0.938988 Zr\n0.137650 0.724700 0.555372 Zr\n0.184528 0.630942 0.248920 Zr\n0.815471 0.369058 0.748920 Zr\n0.862350 0.275300 0.055372 Zr\n0.865132 0.269734 0.438988 Zr\n0.048277 0.903448 0.386279 N\n0.707513 0.584970 0.575076 N\n0.292486 0.415030 0.075076 N\n0.951722 0.096552 0.886279 N\n0.043110 0.913781 0.117310 O\n0.691249 0.617502 0.918738 O\n0.755296 0.489409 0.259317 O\n0.244703 0.510591 0.759317 O\n0.308750 0.382498 0.418739 O\n0.956890 0.086219 0.617310 O\n",
"nsites": 16,
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"density": 4.982723945054584,
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"formula_full": "Zr6 N4 O6",
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"formula_anonymous": "A2B3C3",
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},
{
"id": "jvasp-19301",
"created_at": "2022-09-04T14:37:10.629065Z",
"updated_at": "2022-09-04T14:37:10.629091Z",
"structure_string": "V4 Zn6 O14\n1.0\n5.172984 -0.000000 -0.000000\n-0.000000 4.973816 -1.341606\n0.000000 -0.113252 9.470793\nV Zn O\n4 6 14\ndirect\n0.756289 0.357098 0.202602 V\n0.256289 0.642903 0.797397 V\n0.256289 0.845505 0.202602 V\n0.756289 0.154496 0.797397 V\n0.718008 0.758082 -0.000000 Zn\n0.218008 0.241919 -0.000000 Zn\n0.795839 0.575344 0.601088 Zn\n0.295839 0.424657 0.398911 Zn\n0.795839 0.974255 0.398911 Zn\n0.295839 0.025746 0.601088 Zn\n0.300519 0.629270 -0.000000 O\n0.800519 0.370731 -0.000000 O\n0.443415 0.141872 0.153748 O\n0.943415 0.858129 0.846252 O\n0.072243 0.549847 0.254454 O\n0.572242 0.450155 0.745545 O\n0.182950 0.056416 0.405700 O\n0.072243 0.295392 0.745545 O\n0.682950 0.349286 0.405700 O\n0.182950 0.650715 0.594300 O\n0.943415 0.011876 0.153748 O\n0.682950 0.943586 0.594300 O\n0.572242 0.704609 0.254454 O\n0.443415 -0.011876 0.846252 O\n",
"nsites": 24,
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"volume": 242.89250900165896,
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"spacegroup": 36
},
{
"id": "jvasp-10662",
"created_at": "2022-09-04T14:37:10.906061Z",
"updated_at": "2022-09-04T14:37:10.906080Z",
"structure_string": "Na4 Pd2 S4\n1.0\n3.575628 0.000000 0.000000\n-1.787814 5.164803 0.000000\n0.000000 0.000000 10.850584\nNa Pd S\n4 2 4\ndirect\n0.432281 0.864559 0.876027 Na\n0.567720 0.135440 0.376028 Na\n0.827188 0.654374 0.587958 Na\n0.172814 0.345625 0.087959 Na\n0.134696 0.269392 0.751256 Pd\n0.865305 0.730608 0.251256 Pd\n0.546402 0.092804 0.633128 S\n0.453599 0.907195 0.133128 S\n0.720979 0.441955 0.871629 S\n0.279023 0.558044 0.371629 S\n",
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],
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"density": 3.588699049412965,
"density_atomic": 0.04990462495795473,
"volume": 200.3822292708366,
"volume_molar": 12.067299904715702,
"formula_full": "Na4 Pd2 S4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 36
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{
"id": "jvasp-10663",
"created_at": "2022-09-04T14:37:11.561562Z",
"updated_at": "2022-09-04T14:37:11.561578Z",
"structure_string": "Na4 Pt2 S4\n1.0\n3.585318 -0.000000 0.000000\n-1.792658 5.184248 -0.000000\n-0.000000 0.000000 10.827682\nNa Pt S\n4 2 4\ndirect\n0.170747 0.341492 0.093181 Na\n0.829254 0.658508 0.593181 Na\n0.432470 0.864941 0.876409 Na\n0.567530 0.135059 0.376409 Na\n0.863897 0.727793 0.254593 Pt\n0.136104 0.272207 0.754593 Pt\n0.551251 0.102502 0.635157 S\n0.448749 0.897499 0.135157 S\n0.720543 0.441085 0.874658 S\n0.279458 0.558915 0.374658 S\n",
"nsites": 10,
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],
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"density": 5.036229180937215,
"density_atomic": 0.0496879474919517,
"volume": 201.25604909761606,
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"formula_full": "Na4 Pt2 S4",
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},
{
"id": "jvasp-11187",
"created_at": "2022-09-04T14:37:12.132641Z",
"updated_at": "2022-09-04T14:37:12.132672Z",
"structure_string": "Rb4 Li2 As2 O8\n1.0\n5.832300 0.000000 -0.000000\n-2.916150 5.862124 -0.000000\n0.000000 -0.000000 7.909902\nRb Li As O\n4 2 2 8\ndirect\n0.057660 0.115320 0.848446 Rb\n0.942339 0.884680 0.348446 Rb\n0.603508 0.207016 0.498117 Rb\n0.396492 0.792983 0.998117 Rb\n0.796641 0.593280 0.768818 Li\n0.203359 0.406719 0.268818 Li\n0.688936 0.377871 0.055814 As\n0.311064 0.622128 0.555814 As\n0.402332 0.284393 0.161666 O\n0.597667 0.715606 0.661666 O\n0.633273 0.266547 0.852873 O\n0.366727 0.733452 0.352873 O\n0.882060 0.284393 0.161666 O\n0.117940 0.715606 0.661666 O\n0.164843 0.329686 0.523500 O\n0.835157 0.670314 0.023500 O\n",
"nsites": 16,
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],
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"density_atomic": 0.05916352261488318,
"volume": 270.4369059318831,
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"formula_full": "Rb4 Li2 As2 O8",
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{
"id": "jvasp-10125",
"created_at": "2022-09-04T14:38:11.621752Z",
"updated_at": "2022-09-04T14:38:11.621764Z",
"structure_string": "Rb4 S6\n1.0\n6.417512 -0.028226 -0.000000\n-2.029109 6.088348 0.000000\n0.000000 -0.000000 7.634640\nRb S\n4 6\ndirect\n0.427554 0.572445 0.813296 Rb\n0.572445 0.427554 0.313296 Rb\n0.895658 0.104341 0.538719 Rb\n0.104341 0.895659 0.038719 Rb\n0.387090 0.064128 0.653383 S\n0.612910 0.935872 0.153383 S\n0.935871 0.612910 0.653383 S\n0.064128 0.387090 0.153383 S\n0.794289 0.205710 -0.001379 S\n0.205711 0.794289 0.498621 S\n",
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},
{
"id": "jvasp-10587",
"created_at": "2022-09-04T14:37:12.839786Z",
"updated_at": "2022-09-04T14:37:12.839810Z",
"structure_string": "Ag4 Ge2 S6\n1.0\n6.538517 -0.000000 0.000000\n-0.000000 6.058585 -3.261772\n0.000000 -0.030711 6.880746\nAg Ge S\n4 2 6\ndirect\n0.491819 0.305376 0.995061 Ag\n0.991820 0.694623 0.004939 Ag\n0.491819 0.995060 0.305377 Ag\n0.991820 0.004939 0.694624 Ag\n0.959478 0.338971 0.338972 Ge\n0.459478 0.661028 0.661029 Ge\n0.823360 0.643931 0.643932 S\n0.323360 0.356068 0.356069 S\n0.375263 0.649919 0.966394 S\n0.375263 0.966392 0.649920 S\n0.875263 0.033607 0.350081 S\n0.875263 0.350080 0.033607 S\n",
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{
"id": "jvasp-12134",
"created_at": "2022-09-04T14:37:13.733103Z",
"updated_at": "2022-09-04T14:37:13.733131Z",
"structure_string": "Hf2 Ge2 Te8\n1.0\n4.020014 0.000000 -0.000000\n-2.010007 8.120589 -0.000000\n-0.000000 -0.000000 11.107563\nHf Ge Te\n2 2 8\ndirect\n0.348003 0.696009 0.271863 Hf\n0.651995 0.303991 0.771862 Hf\n0.227885 0.455771 0.460596 Ge\n0.772114 0.544229 0.960596 Ge\n0.276022 0.552046 0.698009 Te\n0.381174 0.762351 0.000637 Te\n0.723976 0.447954 0.198009 Te\n0.981490 0.962982 0.241106 Te\n0.101805 0.203612 0.959949 Te\n0.898193 0.796388 0.459949 Te\n0.018509 0.037018 0.741105 Te\n0.618825 0.237650 0.500637 Te\n",
"nsites": 12,
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],
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"volume": 362.60507753607493,
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"formula_full": "Hf2 Ge2 Te8",
"formula_reduced": "HfGeTe4",
"formula_anonymous": "ABC4",
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"spacegroup": 36
},
{
"id": "jvasp-51007",
"created_at": "2022-09-04T14:37:13.950989Z",
"updated_at": "2022-09-04T14:37:13.950997Z",
"structure_string": "Rb2 H2 O2\n1.0\n2.069959 0.000000 5.426715\n0.000000 4.186996 0.000000\n-2.069959 0.000000 5.426715\nRb H O\n2 2 2\ndirect\n0.360587 0.260293 0.360587 Rb\n0.639412 0.760294 0.639412 Rb\n0.032431 0.398042 0.032431 H\n0.967568 0.898042 0.967568 H\n0.098988 0.237058 0.098988 O\n0.901011 0.737058 0.901011 O\n",
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"formula_full": "Rb2 H2 O2",
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"formula_anonymous": "ABC",
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"spacegroup": 36
}
]
}