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{
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"results": [
{
"id": "jvasp-12890",
"created_at": "2022-09-04T14:38:33.334364Z",
"updated_at": "2022-09-04T14:38:33.334391Z",
"structure_string": "Rb2 H6 O4\n1.0\n4.224777 0.000000 0.000000\n-2.112388 5.518776 0.000000\n0.000000 0.000000 5.929076\nRb H O\n2 6 4\ndirect\n0.845547 0.691093 0.268017 Rb\n0.154453 0.308908 0.768017 Rb\n0.489788 0.979575 0.020172 H\n0.510213 0.020426 0.520172 H\n0.303756 0.217272 0.298846 H\n0.696245 0.782729 0.798846 H\n0.086484 0.782729 0.798846 H\n0.913517 0.217272 0.298846 H\n0.839442 0.678883 0.758955 O\n0.468251 0.936502 0.859267 O\n0.160559 0.321118 0.258954 O\n0.531749 0.063499 0.359266 O\n",
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{
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"structure_string": "K4 Ba2 As10\n1.0\n6.620047 0.009769 0.000000\n-1.968896 6.320488 0.000000\n-0.000000 0.000000 11.727007\nK Ba As\n4 2 10\ndirect\n0.766103 0.233897 0.850451 K\n0.233897 0.766103 0.350451 K\n0.853416 0.146585 0.228401 K\n0.146584 0.853416 0.728401 K\n0.607860 0.392140 0.526114 Ba\n0.392139 0.607861 0.026114 Ba\n0.301158 0.381883 0.760395 As\n0.698842 0.618117 0.260395 As\n0.381883 0.301158 0.260395 As\n0.618117 0.698842 0.760395 As\n0.946402 0.053599 0.504758 As\n0.053598 0.946401 0.004758 As\n0.106587 0.414674 0.582198 As\n0.893413 0.585326 0.082198 As\n0.414674 0.106588 0.082198 As\n0.585325 0.893413 0.582198 As\n",
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"volume": 490.9061370809993,
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{
"id": "jvasp-118469",
"created_at": "2022-09-04T14:38:33.790400Z",
"updated_at": "2022-09-04T14:38:33.790430Z",
"structure_string": "Rb2 H2 O2\n1.0\n4.130908 0.000000 -0.002421\n0.000000 4.176241 0.000000\n-2.060824 0.000000 5.422229\nRb H O\n2 2 2\ndirect\n0.139510 0.761540 0.278805 Rb\n0.860491 0.261539 0.721195 Rb\n0.467020 0.898045 0.934128 H\n0.532982 0.398045 0.065871 H\n0.399763 0.738453 0.800099 O\n0.600239 0.238453 0.199901 O\n",
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],
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"volume": 93.5216547096566,
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"formula_full": "Rb2 H2 O2",
"formula_reduced": "RbHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7217045000000002,
"spacegroup": 36
},
{
"id": "jvasp-9449",
"created_at": "2022-09-04T14:38:34.388280Z",
"updated_at": "2022-09-04T14:38:34.388306Z",
"structure_string": "Mg4 P2 N6\n1.0\n4.756938 0.000000 0.000000\n-0.000000 4.899256 -2.795555\n0.000000 0.004747 5.640727\nMg P N\n4 2 6\ndirect\n0.473065 0.829346 0.502393 Mg\n0.473065 0.502394 0.829345 Mg\n0.973065 0.170656 0.497608 Mg\n0.973065 0.497608 0.170655 Mg\n0.491359 0.162022 0.162021 P\n0.991359 0.837980 0.837979 P\n0.345122 0.889368 0.889367 N\n0.845122 0.110634 0.110633 N\n0.418645 0.162463 0.443828 N\n0.918645 0.837538 0.556172 N\n0.418645 0.443828 0.162463 N\n0.918645 0.556173 0.837538 N\n",
"nsites": 12,
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"volume": 131.52284770606352,
"volume_molar": 6.60040918368298,
"formula_full": "Mg4 P2 N6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 36
},
{
"id": "jvasp-59132",
"created_at": "2022-09-04T14:38:34.329057Z",
"updated_at": "2022-09-04T14:38:34.329086Z",
"structure_string": "Tb6 Ga2 O12\n1.0\n5.461640 0.000000 -0.000000\n-0.000000 6.972514 -1.590957\n0.000000 0.007873 7.151715\nTb Ga O\n6 2 12\ndirect\n0.530689 0.298096 0.087673 Tb\n0.530689 0.912326 0.701904 Tb\n0.030689 0.087673 0.298096 Tb\n0.578115 0.397508 0.602492 Tb\n0.078115 0.602491 0.397508 Tb\n0.030689 0.701903 0.912327 Tb\n0.000696 0.192871 0.807129 Ga\n0.500696 0.807128 0.192871 Ga\n0.321631 0.894987 0.421523 O\n0.821631 0.105012 0.578477 O\n0.836924 0.783560 0.216439 O\n0.803570 0.356136 0.323636 O\n0.303570 0.643863 0.676364 O\n0.803570 0.676364 0.643863 O\n0.303570 0.323635 0.356137 O\n0.857944 0.038216 0.961784 O\n0.357944 0.961783 0.038216 O\n0.336924 0.216439 0.783561 O\n0.821631 0.421523 0.894988 O\n0.321631 0.578476 0.105012 O\n",
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"elements": [
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"density_atomic": 0.07341727399846186,
"volume": 272.4154536222499,
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"formula_full": "Tb6 Ga2 O12",
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"formula_anonymous": "AB3C6",
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},
{
"id": "jvasp-34033",
"created_at": "2022-09-04T14:38:35.277057Z",
"updated_at": "2022-09-04T14:38:35.277092Z",
"structure_string": "Te8 Mo6 S4\n1.0\n1.890531 2.874294 0.000084\n0.001060 -0.000215 -14.279798\n-6.433810 6.290889 0.001173\nTe Mo S\n8 6 4\ndirect\n0.205401 0.889668 0.589116 Te\n0.783045 0.113261 0.433966 Te\n0.871469 0.618700 0.256994 Te\n0.883120 0.876545 0.233681 Te\n0.461904 0.118701 0.076260 Te\n0.550332 0.613255 0.899281 Te\n0.450170 0.376551 0.099724 Te\n0.127882 0.389664 0.744309 Te\n0.437015 0.744389 0.125908 Mo\n0.232883 0.249660 0.534292 Mo\n0.100449 0.749653 0.799041 Mo\n0.896317 0.244393 0.207420 Mo\n0.762405 0.756025 0.475117 Mo\n0.570925 0.256024 0.858223 Mo\n0.121738 0.153044 0.756610 S\n0.544398 0.848712 0.911134 S\n0.788898 0.348720 0.422262 S\n0.211632 0.653040 0.576657 S\n",
"nsites": 18,
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],
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"density_atomic": 0.04148394261363565,
"volume": 433.902827598731,
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"formula_full": "Te8 Mo6 S4",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 36
},
{
"id": "jvasp-49989",
"created_at": "2022-09-04T14:38:35.287675Z",
"updated_at": "2022-09-04T14:38:35.287712Z",
"structure_string": "Y6 Al2 O12\n1.0\n4.425955 5.541526 0.000000\n-4.425955 5.541526 0.000000\n0.000000 0.000000 5.384225\nY Al O\n6 2 12\ndirect\n0.298348 0.913332 0.469755 Y\n0.086669 0.701652 0.969756 Y\n0.396724 0.396724 0.424787 Y\n0.603276 0.603276 0.924787 Y\n0.701652 0.086669 0.969756 Y\n0.913332 0.298348 0.469755 Y\n0.194332 0.194332 0.004973 Al\n0.805668 0.805668 0.504974 Al\n0.891588 0.584324 0.670922 O\n0.415677 0.108413 0.170922 O\n0.955827 0.955827 0.631001 O\n0.785850 0.785850 0.176890 O\n0.214150 0.214150 0.676890 O\n0.323459 0.644433 0.698523 O\n0.584324 0.891588 0.670922 O\n0.108413 0.415677 0.170922 O\n0.644433 0.323459 0.698523 O\n0.355568 0.676541 0.198523 O\n0.044173 0.044173 0.131001 O\n0.676541 0.355568 0.198523 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Y6 Al2 O12",
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"spacegroup": 36
},
{
"id": "jvasp-59131",
"created_at": "2022-09-04T14:38:35.336946Z",
"updated_at": "2022-09-04T14:38:35.336973Z",
"structure_string": "Sm6 Ga2 O12\n1.0\n5.557884 0.000000 0.000000\n0.000000 7.114938 -1.628048\n-0.000000 0.013594 7.298815\nSm Ga O\n6 2 12\ndirect\n0.531294 0.298412 0.087179 Sm\n0.531294 0.912821 0.701588 Sm\n0.031294 0.087179 0.298412 Sm\n0.577011 0.396653 0.603347 Sm\n0.077012 0.603346 0.396654 Sm\n0.031294 0.701588 0.912821 Sm\n0.999759 0.192222 0.807778 Ga\n0.499759 0.807777 0.192223 Ga\n0.326316 0.894684 0.417977 O\n0.826316 0.105316 0.582023 O\n0.830796 0.783869 0.216131 O\n0.802824 0.355004 0.325616 O\n0.302824 0.644995 0.674385 O\n0.802824 0.674384 0.644996 O\n0.302824 0.325615 0.355005 O\n0.863172 0.039623 0.960377 O\n0.363172 0.960377 0.039623 O\n0.330797 0.216131 0.783869 O\n0.826316 0.417976 0.894684 O\n0.326316 0.582023 0.105316 O\n",
"nsites": 20,
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"elements": [
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],
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"volume": 288.74734621485953,
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"formula_full": "Sm6 Ga2 O12",
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"spacegroup": 36
},
{
"id": "jvasp-19309",
"created_at": "2022-09-04T14:38:35.847697Z",
"updated_at": "2022-09-04T14:38:35.847746Z",
"structure_string": "Ca6 Co4 O14\n1.0\n5.233514 0.000000 -0.000000\n-0.000000 5.008305 -1.350909\n-0.000000 0.031499 10.076020\nCa Co O\n6 4 14\ndirect\n0.705283 0.757239 0.000000 Ca\n0.205284 0.242762 0.000000 Ca\n0.785988 0.565990 0.625916 Ca\n0.285989 0.434011 0.374084 Ca\n0.785988 0.940073 0.374084 Ca\n0.285989 0.059928 0.625916 Ca\n0.748631 0.346697 0.193358 Co\n0.248631 0.653305 0.806642 Co\n0.248631 0.846662 0.193358 Co\n0.748631 0.153339 0.806642 Co\n0.258027 0.681812 0.000000 O\n0.758026 0.318189 0.000000 O\n0.452029 0.131740 0.168738 O\n0.952029 0.868261 0.831263 O\n0.043965 0.562209 0.217485 O\n0.543965 0.437792 0.782515 O\n0.247730 0.983845 0.390434 O\n0.043965 0.344723 0.782515 O\n0.747730 0.406590 0.390434 O\n0.247730 0.593411 0.609566 O\n0.952029 0.036998 0.168738 O\n0.747730 0.016156 0.609566 O\n0.543965 0.655278 0.217485 O\n0.452029 0.963003 0.831263 O\n",
"nsites": 24,
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"elements": [
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],
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"formula_full": "Ca6 Co4 O14",
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},
{
"id": "jvasp-19306",
"created_at": "2022-09-04T14:38:35.916526Z",
"updated_at": "2022-09-04T14:38:35.916555Z",
"structure_string": "Zn6 Cr4 O14\n1.0\n5.098859 0.000000 0.000000\n-0.000000 4.923794 -1.328114\n0.000000 -0.077150 9.505162\nZn Cr O\n6 4 14\ndirect\n0.718596 0.744945 0.000000 Zn\n0.218596 0.255054 0.000000 Zn\n0.793545 0.571215 0.600896 Zn\n0.293545 0.428785 0.399104 Zn\n0.793545 0.970317 0.399104 Zn\n0.293545 0.029683 0.600896 Zn\n0.754105 0.352768 0.202961 Cr\n0.254105 0.647231 0.797039 Cr\n0.254105 0.850193 0.202962 Cr\n0.754105 0.149806 0.797039 Cr\n0.319426 0.637092 0.000000 O\n0.819426 0.362907 0.000000 O\n0.437090 0.148143 0.154170 O\n0.937090 0.851857 0.845830 O\n0.071806 0.552092 0.254243 O\n0.571806 0.447908 0.745757 O\n0.184445 0.054462 0.404093 O\n0.071806 0.297849 0.745757 O\n0.684445 0.349632 0.404094 O\n0.184445 0.650367 0.595907 O\n0.937090 0.006027 0.154170 O\n0.684445 0.945537 0.595907 O\n0.571806 0.702150 0.254243 O\n0.437090 -0.006026 0.845830 O\n",
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],
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"volume": 238.1115941565795,
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"formula_full": "Zn6 Cr4 O14",
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"spacegroup": 36
},
{
"id": "jvasp-26976",
"created_at": "2022-09-04T14:38:36.177094Z",
"updated_at": "2022-09-04T14:38:36.177124Z",
"structure_string": "Pb6 Se2 O10\n1.0\n5.819136 0.000000 0.000000\n0.000000 7.593266 -0.088778\n0.000000 0.049148 7.593625\nPb Se O\n6 2 10\ndirect\n0.187422 0.882319 0.117682 Pb\n0.687422 0.117682 0.882319 Pb\n0.188627 0.360284 0.132373 Pb\n0.688627 0.639717 0.867627 Pb\n0.188627 0.867628 0.639717 Pb\n0.688627 0.132373 0.360284 Pb\n0.137730 0.373947 0.626053 Se\n0.637731 0.626053 0.373947 Se\n0.787425 0.440100 0.303389 O\n0.287424 0.559901 0.696611 O\n0.722339 0.779166 0.220834 O\n0.222339 0.220834 0.779166 O\n0.951705 0.131062 0.136336 O\n0.951705 0.863664 0.868938 O\n0.451705 0.868938 0.863664 O\n0.287424 0.303389 0.440100 O\n0.451705 0.136336 0.131062 O\n0.787425 0.696611 0.559901 O\n",
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],
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"density": 7.725286343352622,
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"volume": 335.55918437208226,
"volume_molar": 11.226581342219287,
"formula_full": "Pb6 Se2 O10",
"formula_reduced": "Pb3SeO5",
"formula_anonymous": "AB3C5",
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"spacegroup": 36
},
{
"id": "jvasp-34000",
"created_at": "2022-09-04T14:38:36.397412Z",
"updated_at": "2022-09-04T14:38:36.397439Z",
"structure_string": "Te6 Mo6 S6\n1.0\n-0.345152 -5.796519 0.000722\n0.001962 -0.001844 13.867545\n-4.853689 3.187528 -0.001226\nTe Mo S\n6 6 6\ndirect\n0.718457 0.894799 0.051943 Te\n0.948171 0.394805 0.281635 Te\n0.048439 0.613365 0.717171 Te\n0.282745 0.113376 0.951442 Te\n0.383952 0.613356 0.381625 Te\n0.618284 0.113366 0.615938 Te\n0.285089 0.254103 0.285006 Mo\n0.714985 0.754089 0.714938 Mo\n0.618037 0.252652 0.951357 Mo\n0.048623 0.752638 0.381969 Mo\n0.951665 0.254106 0.618405 Mo\n0.381596 0.754093 0.048350 Mo\n0.380595 0.858754 0.381713 S\n0.048247 0.858750 0.714067 S\n0.714117 0.650091 0.047356 S\n0.618382 0.358772 0.619471 S\n0.286030 0.358768 0.951825 S\n0.952581 0.150109 0.285793 S\n",
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"elements": [
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"formula_full": "Te6 Mo6 S6",
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"spacegroup": 36
}
]
}