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{
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"results": [
{
"id": "jvasp-113223",
"created_at": "2022-09-04T14:38:42.751722Z",
"updated_at": "2022-09-04T14:38:42.751757Z",
"structure_string": "Li4 Mn4 Al4 O12\n1.0\n5.116860 0.267697 -1.402088\n2.494814 5.094029 -1.648648\n0.355212 -0.209459 10.001530\nLi Mn Al O\n4 4 4 12\ndirect\n0.632051 0.444156 0.873799 Li\n0.132053 0.944154 0.373799 Li\n0.367948 0.555844 0.126200 Li\n0.867946 0.055847 0.626201 Li\n0.958140 0.463922 0.202782 Mn\n0.041859 0.536079 0.797217 Mn\n0.458137 0.963923 0.702781 Mn\n0.541861 0.036078 0.297218 Mn\n0.207845 0.035607 0.956454 Al\n0.707844 0.535604 0.456454 Al\n0.792154 0.964394 0.043546 Al\n0.292154 0.464397 0.543545 Al\n0.179912 0.748877 0.967207 O\n0.439833 0.317140 0.697398 O\n0.939833 0.817139 0.197396 O\n0.560166 0.682861 0.302601 O\n0.060166 0.182861 0.802603 O\n0.615466 0.811441 0.895252 O\n0.115466 0.311439 0.395252 O\n0.384532 0.188560 0.104748 O\n0.884532 0.688562 0.604748 O\n0.820086 0.251123 0.032793 O\n0.320086 0.751123 0.532793 O\n0.679912 0.248878 0.467207 O\n",
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],
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"spacegroup": 2
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{
"id": "jvasp-99973",
"created_at": "2022-09-04T14:38:40.530312Z",
"updated_at": "2022-09-04T14:38:40.530339Z",
"structure_string": "La1 Al1 Cu1 Ni3\n1.0\n4.080876 0.000000 0.000000\n0.000000 4.408808 2.379255\n0.000000 -0.042910 5.141562\nLa Al Cu Ni\n1 1 1 3\ndirect\n0.000000 0.500000 0.499999 La\n0.500000 0.000000 0.000000 Al\n0.500000 -0.000000 0.500000 Cu\n0.000000 0.172337 0.155280 Ni\n0.000000 0.827663 0.844719 Ni\n0.500000 0.500000 -0.000001 Ni\n",
"nsites": 6,
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"spacegroup": 10
},
{
"id": "jvasp-112033",
"created_at": "2022-09-04T14:38:43.200494Z",
"updated_at": "2022-09-04T14:38:43.200518Z",
"structure_string": "H4 C12 S4 O4\n1.0\n3.695350 -0.019468 -0.078754\n0.487572 7.491464 2.563233\n-0.369587 -0.272098 10.474797\nH C S O\n4 12 4 4\ndirect\n0.237933 0.419412 0.267036 H\n0.237934 0.919412 0.767036 H\n0.218374 0.251142 0.091843 H\n0.218374 0.751142 0.591843 H\n0.020442 0.779065 0.296969 C\n0.020444 0.279065 0.796969 C\n0.861357 0.949014 0.319798 C\n0.861357 0.449014 0.819799 C\n0.952463 0.646233 0.115900 C\n0.952463 0.146233 0.615900 C\n0.938311 0.484594 0.946652 C\n0.105685 0.885861 0.570128 C\n0.105686 0.385861 0.070128 C\n0.117049 0.976483 0.666416 C\n0.117049 0.476483 0.166416 C\n0.938310 0.984593 0.446652 C\n0.782755 0.694832 0.950578 S\n0.782754 0.194833 0.450579 S\n0.296339 0.128183 0.902218 S\n0.296337 0.628183 0.402218 S\n0.893143 0.779716 0.171399 O\n0.664023 0.555976 0.728808 O\n0.664024 0.055976 0.228809 O\n0.893143 0.279717 0.671399 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.08206040308555071,
"volume": 292.46748855205107,
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"formula_full": "H4 C12 S4 O4",
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},
{
"id": "jvasp-35195",
"created_at": "2022-09-04T14:38:33.049632Z",
"updated_at": "2022-09-04T14:38:33.049670Z",
"structure_string": "Rb4 Mg4 B4 O12\n1.0\n6.964787 0.000000 -0.000000\n-0.000000 6.964787 0.000000\n-0.000000 -0.000000 6.964787\nRb Mg B O\n4 4 4 12\ndirect\n0.608262 0.391738 0.891738 Rb\n0.108262 0.108262 0.108262 Rb\n0.891738 0.608262 0.391738 Rb\n0.391738 0.891738 0.608262 Rb\n0.109046 0.609046 0.890954 Mg\n0.609046 0.890954 0.109046 Mg\n0.890954 0.109046 0.609046 Mg\n0.390954 0.390954 0.390954 Mg\n0.851357 0.851357 0.851357 B\n0.648643 0.148643 0.351357 B\n0.148643 0.351357 0.648643 B\n0.351357 0.648643 0.148643 B\n0.281132 0.498780 0.655052 O\n0.001220 0.344948 0.781132 O\n0.218868 0.501220 0.155052 O\n0.844948 0.718868 0.998780 O\n0.501220 0.155052 0.218868 O\n0.718868 0.998780 0.844948 O\n0.344948 0.781132 0.001220 O\n0.998780 0.844948 0.718868 O\n0.781132 0.001220 0.344948 O\n0.155052 0.218868 0.501220 O\n0.498780 0.655052 0.281132 O\n0.655052 0.281132 0.498780 O\n",
"nsites": 24,
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"elements": [
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"B",
"O"
],
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"density_atomic": 0.07103750901116943,
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"volume_molar": 8.477409813248268,
"formula_full": "Rb4 Mg4 B4 O12",
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{
"id": "jvasp-28758",
"created_at": "2022-09-04T14:38:30.601232Z",
"updated_at": "2022-09-04T14:38:30.601261Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.225266 0.000000 0.000000\n-1.612633 2.793205 -0.000325\n0.000000 -0.004148 32.877324\nMo W Se S\n2 2 2 6\ndirect\n0.333489 0.666975 0.089969 Mo\n0.666662 0.333320 0.279463 Mo\n0.333437 0.666870 0.468520 W\n0.666417 0.332830 0.664966 W\n0.333126 0.666250 0.717259 Se\n0.333037 0.666072 0.612608 Se\n0.333285 0.666568 0.326780 S\n0.666543 0.333081 0.042683 S\n0.666746 0.333487 0.420953 S\n0.667120 0.334238 0.137296 S\n0.666817 0.333629 0.516110 S\n0.333333 0.666666 0.232142 S\n",
"nsites": 12,
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],
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"density": 5.101097669471311,
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"volume": 296.18618940968685,
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"formula_full": "Mo2 W2 Se2 S6",
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"spacegroup": 156
},
{
"id": "jvasp-28750",
"created_at": "2022-09-04T14:38:33.726437Z",
"updated_at": "2022-09-04T14:38:33.726456Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224952 -0.000000 -0.000002\n-1.612476 2.792884 -0.000017\n-0.000020 -0.000237 34.073254\nMo W Se S\n2 2 2 6\ndirect\n0.333314 0.666636 0.096902 Mo\n0.666661 0.333317 0.279088 Mo\n0.333338 0.666676 0.468410 W\n0.666679 0.333364 0.658513 W\n0.666666 0.333333 0.417891 Se\n0.666675 0.333348 0.518930 Se\n0.333338 0.666673 0.324767 S\n0.333347 0.666700 0.704389 S\n0.666655 0.333319 0.051274 S\n0.666643 0.333291 0.142568 S\n0.333325 0.666644 0.233429 S\n0.333339 0.666684 0.612588 S\n",
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"density_atomic": 0.03910132572173873,
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"formula_full": "Mo2 W2 Se2 S6",
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"spacegroup": 156
},
{
"id": "jvasp-112537",
"created_at": "2022-09-04T14:38:40.627369Z",
"updated_at": "2022-09-04T14:38:40.627384Z",
"structure_string": "Cu4 Ni4 Sb4 S12\n1.0\n4.865227 0.000000 0.000000\n0.000000 7.490678 0.000000\n0.000000 0.000000 12.392772\nCu Ni Sb S\n4 4 4 12\ndirect\n0.520523 0.618034 0.939801 Cu\n0.020523 0.881966 0.060199 Cu\n0.479477 0.118034 0.560199 Cu\n0.979478 0.381966 0.439801 Cu\n0.989872 0.868742 0.747850 Ni\n0.489872 0.631259 0.252150 Ni\n0.010129 0.368741 0.752150 Ni\n0.510129 0.131259 0.247850 Ni\n0.431114 0.127706 0.864542 Sb\n0.931115 0.372294 0.135457 Sb\n0.568886 0.627706 0.635457 Sb\n0.068886 0.872294 0.364542 Sb\n0.782007 0.370186 0.910192 S\n0.770657 0.870167 0.905881 S\n0.270657 0.629833 0.094119 S\n0.229343 0.370167 0.594119 S\n0.729344 0.129833 0.405881 S\n0.221619 0.622053 0.796112 S\n0.721619 0.877947 0.203888 S\n0.778382 0.122053 0.703888 S\n0.278381 0.377947 0.296112 S\n0.217994 0.870186 0.589807 S\n0.717994 0.629814 0.410192 S\n0.282006 0.129814 0.089807 S\n",
"nsites": 24,
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],
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"density": 5.003150333305506,
"density_atomic": 0.05313963232966594,
"volume": 451.6403096489184,
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},
{
"id": "jvasp-112867",
"created_at": "2022-09-04T14:38:42.814698Z",
"updated_at": "2022-09-04T14:38:42.814721Z",
"structure_string": "Ag2 H6 Br2 N2\n1.0\n5.884654 -0.000000 0.000000\n0.000000 4.212099 0.507468\n-0.000000 -0.105519 6.719163\nAg H Br N\n2 6 2 2\ndirect\n0.749999 0.342579 0.028909 Ag\n0.250000 0.657421 0.971091 Ag\n0.749999 0.381326 0.432013 H\n0.250000 0.618674 0.567987 H\n0.890778 0.692307 0.322374 H\n0.390778 0.307692 0.677626 H\n0.109221 0.307692 0.677626 H\n0.609221 0.692307 0.322374 H\n0.749999 0.979848 0.750205 Br\n0.250000 0.020151 0.249795 Br\n0.749999 0.551970 0.311770 N\n0.250000 0.448030 0.688229 N\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.07191602077080249,
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},
{
"id": "jvasp-119634",
"created_at": "2022-09-04T14:38:36.436622Z",
"updated_at": "2022-09-04T14:38:36.436642Z",
"structure_string": "Rb2 Yb2 Zn2 Te6\n1.0\n8.579346 0.000097 0.000000\n-7.569983 4.037391 0.000000\n-0.000000 -0.000000 11.808325\nYb Rb Zn Te\n2 2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.262405 0.737595 0.250000 Rb\n0.737596 0.262405 0.750000 Rb\n0.547346 0.452655 0.250000 Zn\n0.452655 0.547345 0.750000 Zn\n0.635425 0.364577 0.061097 Te\n0.364577 0.635424 0.938902 Te\n0.364577 0.635424 0.561097 Te\n0.635425 0.364577 0.438902 Te\n0.942387 0.057615 0.250000 Te\n0.057614 0.942386 0.750000 Te\n",
"nsites": 12,
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],
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{
"id": "jvasp-112052",
"created_at": "2022-09-04T14:38:42.879035Z",
"updated_at": "2022-09-04T14:38:42.879051Z",
"structure_string": "H4 C12 S4 O4\n1.0\n3.641928 0.010535 -0.567295\n-1.092657 8.279635 -1.036364\n0.159934 0.148597 10.153734\nH C S O\n4 12 4 4\ndirect\n0.402189 0.541210 0.252872 H\n0.902161 0.041202 0.752892 H\n0.676215 0.740717 0.096667 H\n0.176252 0.240738 0.596718 H\n0.738217 0.702425 0.638882 C\n0.238255 0.202420 0.138900 C\n0.157111 0.212478 0.280108 C\n0.657079 0.712457 0.780090 C\n0.368655 0.345848 0.089348 C\n0.868643 0.845865 0.589350 C\n0.627495 0.530214 0.945651 C\n0.093372 0.112192 0.568491 C\n0.593345 0.612169 0.068453 C\n0.946129 0.005658 0.650546 C\n0.446135 0.505649 0.150525 C\n0.127543 0.030254 0.445685 C\n0.475002 0.326493 0.926487 S\n0.975019 0.826535 0.426494 S\n0.143520 0.024827 0.045061 S\n0.643467 0.524848 0.545018 S\n0.491543 0.811488 0.834114 O\n0.774520 0.581646 0.839223 O\n0.274623 0.081700 0.339273 O\n0.991514 0.311503 0.334109 O\n",
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},
{
"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,
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],
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"density_atomic": 0.09666834190254485,
"volume": 248.27155951630309,
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"formula_full": "Na4 H4 C4 O12",
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"spacegroup": 14
},
{
"id": "jvasp-28672",
"created_at": "2022-09-04T14:37:32.053980Z",
"updated_at": "2022-09-04T14:37:32.054007Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.225414 -0.000048 -0.000005\n-1.612749 2.793186 -0.000035\n-0.000051 -0.000442 33.071278\nMo W Se S\n2 2 2 6\ndirect\n0.333259 0.666556 0.091887 Mo\n0.333244 0.666433 0.468224 Mo\n0.666814 0.333575 0.280268 W\n0.666680 0.333442 0.662540 W\n0.333315 0.666694 0.714563 Se\n0.333358 0.666812 0.610471 Se\n0.333411 0.666761 0.327579 S\n0.666587 0.333206 0.044857 S\n0.666515 0.332969 0.421173 S\n0.666616 0.333280 0.138952 S\n0.666668 0.333289 0.515298 S\n0.333524 0.666992 0.232942 S\n",
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"elements": [
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],
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}
]
}