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{
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"results": [
{
"id": "jvasp-104011",
"created_at": "2022-09-04T14:36:51.634367Z",
"updated_at": "2022-09-04T14:36:51.634387Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.421855 -0.064144 0.274256\n1.428171 4.195667 0.329308\n-0.011557 -0.140125 19.251801\nSn H C F\n2 24 12 4\ndirect\n0.314439 0.714661 0.536515 Sn\n0.212519 0.443385 0.059705 Sn\n0.830859 -0.012115 0.902186 H\n0.490517 0.962416 0.955348 H\n0.384142 0.598007 0.876695 H\n0.750371 0.557058 0.829965 H\n0.077571 0.740294 0.367266 H\n0.695086 0.394127 0.442199 H\n0.573967 0.798295 0.411847 H\n0.286716 0.256684 0.292383 H\n0.650113 0.159636 0.334181 H\n0.355534 0.770504 0.245674 H\n0.717484 0.682558 0.287713 H\n0.150606 0.364179 0.410857 H\n0.543756 0.128699 0.784995 H\n0.177244 0.163069 0.830430 H\n0.721678 0.506765 0.725382 H\n0.669398 0.844334 0.669180 H\n0.649986 0.300395 0.621558 H\n0.590048 0.274589 0.177458 H\n0.254732 0.409964 0.657184 H\n0.947144 0.201011 0.219125 H\n0.961953 0.757604 0.171708 H\n0.641376 0.782212 0.120328 H\n0.132547 0.704744 0.761196 H\n0.104446 0.057887 0.711106 H\n0.444533 0.360831 0.317643 C\n0.548358 0.728165 0.856402 C\n0.487518 0.602141 0.431751 C\n0.267790 0.523665 0.382968 C\n0.674708 0.843291 0.917066 C\n0.560719 0.572901 0.263746 C\n0.740529 0.395561 0.200473 C\n0.545131 0.682480 0.693294 C\n0.269682 0.863671 0.741475 C\n0.846369 0.610903 0.145912 C\n0.448720 0.502063 0.638318 C\n0.381163 -0.005745 0.803825 C\n0.083602 0.990617 0.040777 F\n0.196029 0.200627 0.539089 F\n0.822958 0.824944 0.536970 F\n0.874119 0.558916 0.953705 F\n",
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"volume": 359.09789370960385,
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"formula_full": "Sn2 H24 C12 F4",
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{
"id": "jvasp-114349",
"created_at": "2022-09-04T14:38:40.381614Z",
"updated_at": "2022-09-04T14:38:40.381645Z",
"structure_string": "Mg1 N3\n1.0\n4.477467 -0.130142 0.199258\n-0.508000 -3.601094 0.828358\n-1.644914 2.388364 -3.678222\nMg N\n1 3\ndirect\n-0.007287 0.017150 0.863252 Mg\n0.897771 0.652124 0.028751 N\n0.603383 0.478994 -0.025844 N\n0.540757 0.422510 0.186845 N\n",
"nsites": 4,
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"volume": 49.44697190567981,
"volume_molar": 7.444415624294231,
"formula_full": "Mg1 N3",
"formula_reduced": "MgN3",
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"spacegroup": 1
},
{
"id": "jvasp-79432",
"created_at": "2022-09-04T14:37:18.962952Z",
"updated_at": "2022-09-04T14:37:18.962992Z",
"structure_string": "Li3 Zn1\n1.0\n-2.067312 2.067312 3.760644\n2.067312 -2.067312 3.760644\n2.067312 2.067312 -3.760644\nLi Zn\n3 1\ndirect\n0.749998 0.250000 0.499998 Li\n0.250000 0.749998 0.499998 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.227323457179576,
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"volume": 64.28864399083392,
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"formula_full": "Li3 Zn1",
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"spacegroup": 139
},
{
"id": "jvasp-112009",
"created_at": "2022-09-04T14:38:41.679503Z",
"updated_at": "2022-09-04T14:38:41.679539Z",
"structure_string": "Sn1 H12 C7 O6\n1.0\n4.458250 -0.205343 -0.791939\n-2.154830 5.626038 -1.003487\n-0.229940 0.428830 9.342442\nSn H C O\n1 12 7 6\ndirect\n0.229003 0.663066 0.392361 Sn\n0.667091 0.074521 0.407305 H\n0.841381 0.008568 0.803207 H\n0.775079 0.302707 0.241134 H\n0.557830 0.388184 0.857390 H\n0.410860 0.149525 0.700624 H\n0.024127 0.257574 0.954054 H\n0.105878 0.547047 0.793734 H\n0.795094 0.729044 0.987951 H\n0.996810 0.987245 0.128089 H\n0.517140 0.114845 0.046797 H\n0.337112 0.865932 0.899561 H\n0.961620 0.305013 0.644540 H\n0.575025 0.992082 0.971879 C\n0.752013 0.861308 0.061981 C\n0.880989 0.422584 0.710924 C\n0.632002 0.272780 0.785562 C\n0.777739 0.565452 0.605440 C\n0.584073 0.736261 0.170269 C\n0.786366 0.132535 0.878715 C\n0.000771 0.721737 0.562556 O\n0.492102 0.008868 0.457494 O\n0.956333 0.309993 0.321150 O\n0.732972 0.668949 0.277046 O\n0.285795 0.704544 0.162077 O\n0.476256 0.530279 0.563851 O\n",
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],
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"formula_full": "Sn1 H12 C7 O6",
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"spacegroup": 1
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{
"id": "jvasp-65684",
"created_at": "2022-09-04T14:36:03.770133Z",
"updated_at": "2022-09-04T14:36:03.770154Z",
"structure_string": "K2 Ba1 V1\n1.0\n4.161776 0.000000 -0.000000\n-0.000000 4.161776 0.000000\n-0.000000 -0.000000 11.471591\nK Ba V\n2 1 1\ndirect\n0.000000 0.000000 0.992568 K\n0.500000 0.500000 0.314717 K\n0.500000 0.500000 0.679183 Ba\n0.000000 0.000000 0.513532 V\n",
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"density_atomic": 0.020131629725590693,
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"formula_full": "K2 Ba1 V1",
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"spacegroup": 99
},
{
"id": "jvasp-65535",
"created_at": "2022-09-04T14:35:56.620623Z",
"updated_at": "2022-09-04T14:35:56.620655Z",
"structure_string": "K2 Ba1 V1\n1.0\n4.162901 0.000000 0.000000\n-0.000000 4.162901 -0.000000\n0.000000 0.000000 11.465677\nK Ba V\n2 1 1\ndirect\n0.000000 0.000000 0.992590 K\n0.500000 0.500000 0.314670 K\n0.500000 0.500000 0.679208 Ba\n0.000000 0.000000 0.513532 V\n",
"nsites": 4,
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},
{
"id": "jvasp-93432",
"created_at": "2022-09-04T14:35:42.996788Z",
"updated_at": "2022-09-04T14:35:42.996809Z",
"structure_string": "Ca2 Cl4\n1.0\n4.136001 0.000000 0.000000\n0.000000 6.170146 0.000000\n0.000000 0.000000 6.486739\nCa Cl\n2 4\ndirect\n0.000000 0.894044 0.749985 Ca\n0.500000 0.394043 0.250016 Ca\n0.500000 0.133145 0.908138 Cl\n0.000000 0.633146 0.091863 Cl\n0.000000 0.154811 0.408068 Cl\n0.500000 0.654811 0.591932 Cl\n",
"nsites": 6,
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"density_atomic": 0.036245053963146735,
"volume": 165.53982803007227,
"volume_molar": 16.615069096388147,
"formula_full": "Ca2 Cl4",
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"spacegroup": 58
},
{
"id": "jvasp-106903",
"created_at": "2022-09-04T14:36:46.639658Z",
"updated_at": "2022-09-04T14:36:46.639681Z",
"structure_string": "K2 Rb1 Al1 Cl6\n1.0\n6.513856 -0.000000 3.760777\n2.171285 6.141323 3.760777\n-0.000000 -0.000000 7.521554\nK Rb Al Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.781258 0.218742 0.218742 Cl\n0.218743 0.218742 0.781258 Cl\n0.218743 0.781257 0.781258 Cl\n0.218743 0.781257 0.218742 Cl\n0.781258 0.218742 0.781258 Cl\n0.781259 0.781257 0.218742 Cl\n",
"nsites": 10,
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"density_atomic": 0.033234743336916096,
"volume": 300.8899421495552,
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"formula_full": "K2 Rb1 Al1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:37:18.964406Z",
"updated_at": "2022-09-04T14:37:18.964426Z",
"structure_string": "Ca2 Cl4\n1.0\n4.136329 0.000000 0.000000\n0.000000 6.170827 0.000000\n0.000000 -0.000000 6.487043\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.760991 0.158241 Cl\n0.500000 0.239010 0.841758 Cl\n0.000000 0.739010 0.658241 Cl\n0.000000 0.260991 0.341758 Cl\n",
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{
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"created_at": "2022-09-04T14:38:41.789604Z",
"updated_at": "2022-09-04T14:38:41.789634Z",
"structure_string": "Mo2 H16 N4 O8\n1.0\n6.448911 0.094821 2.650853\n2.585621 5.908638 2.650853\n0.037619 0.024998 7.747169\nMo H N O\n2 16 4 8\ndirect\n0.208224 0.208225 0.245911 Mo\n0.791775 0.791776 0.754089 Mo\n0.058791 0.058792 0.761880 H\n0.941209 0.941209 0.238120 H\n0.683553 0.922311 0.306380 H\n0.316447 0.077690 0.693620 H\n0.922310 0.683554 0.306380 H\n0.870277 0.870277 0.092468 H\n0.129723 0.129723 0.907532 H\n0.077690 0.316447 0.693620 H\n0.272417 0.505370 0.382191 H\n0.505369 0.272417 0.382192 H\n0.727583 0.494631 0.617808 H\n0.333644 0.333644 0.881492 H\n0.666356 0.666356 0.118507 H\n0.530138 0.530139 0.823216 H\n0.469862 0.469862 0.176783 H\n0.494630 0.727583 0.617808 H\n0.854998 0.854998 0.237397 N\n0.145002 0.145002 0.762602 N\n0.611868 0.611868 0.698743 N\n0.388132 0.388132 0.301256 N\n0.353100 0.353100 -0.008894 O\n0.104859 0.104859 0.139887 O\n0.895141 0.895141 0.860112 O\n0.036479 0.621346 0.611767 O\n0.378654 0.963521 0.388233 O\n0.963520 0.378654 0.388233 O\n0.621346 0.036480 0.611767 O\n0.646900 0.646900 0.008893 O\n",
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{
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"structure_string": "Na4 Sr1 Ca1 Si2\n1.0\n5.253657 0.000000 0.000000\n0.000000 5.253657 0.000000\n-0.000000 0.000000 7.456152\nNa Sr Ca Si\n4 1 1 2\ndirect\n0.500000 0.000000 0.269264 Na\n0.000000 0.500000 0.730736 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.737978 Si\n0.000000 0.500000 0.262022 Si\n",
"nsites": 8,
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"formula_full": "Na4 Sr1 Ca1 Si2",
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{
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"created_at": "2022-09-04T14:38:28.467570Z",
"updated_at": "2022-09-04T14:38:28.467594Z",
"structure_string": "Al2 P2 O8\n1.0\n0.000000 4.938855 0.028914\n8.232127 0.000000 0.000000\n0.000000 -2.418293 -4.490199\nAl P O\n2 2 8\ndirect\n0.556162 0.067933 0.329511 Al\n0.443838 0.567933 0.670490 Al\n0.770534 0.441444 0.322646 P\n0.229467 0.941444 0.677355 P\n0.589465 0.558225 0.417400 O\n0.410535 0.058225 0.582601 O\n0.115195 0.444734 0.551468 O\n0.884805 0.944735 0.448534 O\n0.649235 0.268642 0.301992 O\n0.350765 0.768643 0.698009 O\n0.270398 0.995724 -0.017363 O\n0.729602 0.495723 0.017364 O\n",
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"P",
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],
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"density": 2.225557394360533,
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"volume": 181.98367406262537,
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"formula_full": "Al2 P2 O8",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
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"spacegroup": 4
}
]
}