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{
"id": "jvasp-10298",
"created_at": "2022-09-04T14:37:02.682151Z",
"updated_at": "2022-09-04T14:37:02.682171Z",
"structure_string": "K4 V2 Ag2 S8\n1.0\n5.597207 0.000000 1.457794\n2.798604 6.428417 0.728897\n0.020327 0.000000 11.396101\nK V Ag S\n4 2 2 8\ndirect\n0.556882 0.250000 0.886236 K\n0.443118 0.750000 0.113764 K\n0.193119 0.250000 0.613764 K\n0.806881 0.750000 0.386236 K\n0.625000 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.125000 0.750000 0.750000 Ag\n0.875000 0.250000 0.250000 Ag\n0.872471 0.545310 0.866991 S\n0.582221 0.545310 0.633009 S\n0.784771 0.954691 0.633009 S\n0.260538 0.954691 0.866991 S\n0.127529 0.454691 0.133009 S\n0.215229 0.045310 0.366991 S\n0.417779 0.454691 0.366991 S\n0.739462 0.045310 0.133008 S\n",
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"structure_string": "Li1 P1 F6\n1.0\n4.270186 0.041026 2.742649\n1.518810 3.991163 2.742649\n0.058900 0.041025 5.074755\nLi P F\n1 1 6\ndirect\n0.500001 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 P\n0.332703 0.781369 0.108306 F\n0.108306 0.332701 0.781371 F\n0.781370 0.108306 0.332702 F\n0.891695 0.667298 0.218631 F\n0.218631 0.891693 0.667299 F\n0.667299 0.218630 0.891695 F\n",
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{
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"updated_at": "2022-09-04T14:35:43.799415Z",
"structure_string": "Ba1 Mg6 Sb1\n1.0\n7.715098 -0.631171 0.000000\n-4.404159 6.365885 0.000000\n0.000000 0.000000 4.903498\nBa Mg Sb\n1 6 1\ndirect\n0.206702 0.293298 0.250000 Ba\n0.158176 0.787062 0.250000 Mg\n0.712937 0.341823 0.250000 Mg\n0.628746 0.871253 0.250000 Mg\n0.303984 0.676558 0.750000 Mg\n0.823442 0.196016 0.750000 Mg\n0.780632 0.719367 0.750000 Mg\n0.385381 0.114619 0.750000 Sb\n",
"nsites": 8,
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],
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"formula_full": "Ba1 Mg6 Sb1",
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"spacegroup": 38
},
{
"id": "jvasp-58403",
"created_at": "2022-09-04T14:37:36.298938Z",
"updated_at": "2022-09-04T14:37:36.298960Z",
"structure_string": "K1 F1\n1.0\n3.194587 0.000000 0.000000\n-0.000000 3.194587 0.000000\n0.000000 -0.000000 3.194587\nK F\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 F\n",
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{
"id": "jvasp-94963",
"created_at": "2022-09-04T14:36:31.937518Z",
"updated_at": "2022-09-04T14:36:31.937542Z",
"structure_string": "Al2 Zn1 S4\n1.0\n-1.841947 -3.190343 -0.000002\n-1.841944 3.190341 0.000000\n-0.000007 -0.000004 -11.824402\nAl Zn S\n2 1 4\ndirect\n0.666642 0.333322 0.924412 Al\n0.333326 0.666664 0.615566 Al\n0.999973 0.999987 0.302025 Zn\n0.999974 0.999989 0.997309 S\n-0.000009 -0.000004 0.519196 S\n0.666653 0.333327 0.734078 S\n0.666640 0.333321 0.239412 S\n",
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"elements": [
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{
"id": "jvasp-54729",
"created_at": "2022-09-04T14:36:48.478586Z",
"updated_at": "2022-09-04T14:36:48.478604Z",
"structure_string": "Mo2 H8 O10\n1.0\n3.978350 -0.000226 -0.000054\n0.000299 6.607505 0.106331\n0.000148 1.714950 7.712228\nMo H O\n2 8 10\ndirect\n0.037602 -0.014436 0.247287 Mo\n0.962518 -0.014437 0.747287 Mo\n-0.239143 0.661577 0.175787 H\n0.358019 0.426784 0.553005 H\n0.836285 0.369733 0.625750 H\n0.239251 0.661579 0.675791 H\n0.642110 0.426786 0.053003 H\n0.163843 0.369737 0.125749 H\n0.368122 0.595471 0.943926 H\n0.632005 0.595469 0.443929 H\n0.040907 0.271852 0.649252 O\n-0.002051 -0.026238 0.969574 O\n0.002167 -0.026240 0.469576 O\n0.460031 0.528548 0.060863 O\n0.540102 0.528545 0.560868 O\n0.472129 -0.006125 0.221439 O\n0.527991 -0.006127 0.721438 O\n0.908359 0.699313 0.265881 O\n-0.040790 0.271858 0.149253 O\n0.091751 0.699317 0.765882 O\n",
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"elements": [
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"volume": 202.00562599502084,
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"formula_full": "Mo2 H8 O10",
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"spacegroup": 7
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{
"id": "jvasp-74231",
"created_at": "2022-09-04T14:35:57.509585Z",
"updated_at": "2022-09-04T14:35:57.509606Z",
"structure_string": "Ca4 Be1 Rh1\n1.0\n-0.000000 4.243119 4.243119\n4.243119 0.000000 4.243119\n4.243119 4.243119 -0.000000\nCa Be Rh\n4 1 1\ndirect\n0.127639 0.624121 0.624121 Ca\n0.624121 0.624121 0.624121 Ca\n0.624121 0.127639 0.624121 Ca\n0.624121 0.624121 0.127639 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Rh\n",
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"spacegroup": 216
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{
"id": "jvasp-20778",
"created_at": "2022-09-04T14:37:57.208162Z",
"updated_at": "2022-09-04T14:37:57.208183Z",
"structure_string": "Be2 O2\n1.0\n1.356277 -2.349142 0.000000\n1.356277 2.349142 0.000000\n0.000000 0.000000 4.406147\nBe O\n2 2\ndirect\n0.333334 0.666668 0.000074 Be\n0.666668 0.333334 0.500075 Be\n0.333334 0.666668 0.622426 O\n0.666668 0.333334 0.122426 O\n",
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"volume": 28.07673768296692,
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{
"id": "jvasp-11775",
"created_at": "2022-09-04T14:37:14.772978Z",
"updated_at": "2022-09-04T14:37:14.773001Z",
"structure_string": "Na6 Mo2 N2 O6\n1.0\n5.594748 0.000000 0.000000\n0.000000 6.232900 0.000000\n0.000000 0.000000 7.305622\nNa Mo N O\n6 2 2 6\ndirect\n0.514520 0.830530 0.000000 Na\n0.512180 0.329049 0.743889 Na\n0.512180 0.329049 0.256110 Na\n0.012180 0.670951 0.243890 Na\n0.014520 0.169470 0.500000 Na\n0.012180 0.670951 0.756110 Na\n0.502989 0.828184 0.500000 Mo\n0.002988 0.171816 0.000000 Mo\n0.692535 0.174692 0.000000 N\n0.192534 0.825308 0.500000 N\n0.602072 0.687145 0.290926 O\n0.102072 0.312855 0.209074 O\n0.102072 0.312855 0.790926 O\n0.602072 0.687145 0.709074 O\n0.100555 0.889145 0.000000 O\n0.600555 0.110855 0.500000 O\n",
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"formula_full": "Na6 Mo2 N2 O6",
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{
"id": "jvasp-37101",
"created_at": "2022-09-04T14:38:06.819546Z",
"updated_at": "2022-09-04T14:38:06.819565Z",
"structure_string": "Sc2 Al2\n1.0\n0.000000 0.000000 4.358920\n3.339671 0.000000 0.000000\n-1.669836 5.548211 -0.000000\nSc Al\n2 2\ndirect\n0.250000 0.162336 0.324673 Sc\n0.750000 0.837662 0.675327 Sc\n0.250000 0.429535 0.859075 Al\n0.750000 0.570463 0.140925 Al\n",
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{
"id": "jvasp-98767",
"created_at": "2022-09-04T14:36:18.868854Z",
"updated_at": "2022-09-04T14:36:18.868870Z",
"structure_string": "Ca12 Si6 H4 O26\n1.0\n6.780864 -0.004918 -0.899958\n-1.015486 6.862227 -0.100765\n-0.001768 -0.034938 12.905118\nCa Si H O\n12 6 4 26\ndirect\n0.684833 0.811687 0.125261 Ca\n0.809163 0.796964 0.513137 Ca\n0.434222 0.965121 0.676932 Ca\n0.108996 0.526492 0.709273 Ca\n0.921500 0.803754 0.898667 Ca\n0.078498 0.196246 0.101332 Ca\n0.190835 0.203036 0.486862 Ca\n0.891002 0.473508 0.290727 Ca\n0.404096 0.521862 0.295811 Ca\n0.565777 0.034879 0.323067 Ca\n0.595902 0.478138 0.704188 Ca\n0.315165 0.188313 0.874739 Ca\n0.715425 0.301097 0.509186 Si\n0.810839 0.283165 0.884205 Si\n0.189160 0.716835 0.115795 Si\n0.612352 0.288939 0.097913 Si\n0.387646 0.711061 0.902086 Si\n0.284574 0.698903 0.490814 Si\n0.199838 0.026311 0.271058 H\n0.061275 0.110621 0.675991 H\n0.800161 0.973689 0.728941 H\n0.938724 0.889379 0.324008 H\n0.846381 0.128680 0.486002 O\n0.235055 0.160425 0.299497 O\n0.255251 0.845535 0.822337 O\n0.185467 0.202329 0.684541 O\n0.521444 0.217111 0.566802 O\n0.013185 0.853011 0.089955 O\n0.478555 0.782889 0.433197 O\n0.986813 0.146989 0.910045 O\n0.112708 0.511391 0.169494 O\n0.748769 0.337681 0.000499 O\n0.611041 0.811872 0.948011 O\n0.163870 0.512320 0.417057 O\n0.836128 0.487680 0.582942 O\n0.386018 0.508875 0.834908 O\n0.383454 0.818176 0.196106 O\n0.251230 0.662319 0.999500 O\n0.613981 0.491125 0.165092 O\n0.640294 0.371793 0.390876 O\n0.764943 0.839575 0.700503 O\n0.616545 0.181824 0.803894 O\n0.359705 0.628207 0.609123 O\n0.887290 0.488609 0.830506 O\n0.153617 0.871320 0.513998 O\n0.744747 0.154465 0.177663 O\n0.814531 0.797671 0.315459 O\n0.388958 0.188128 0.051989 O\n",
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{
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"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842615 0.003450\n7.642579 0.000000 0.000000\n0.000000 -0.031377 -9.706487\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991979 0.393731 0.836442 Ca\n0.008019 0.893731 0.663558 Ca\n0.008019 0.606269 0.163558 Ca\n0.991980 0.106269 0.336442 Ca\n0.529260 0.732421 0.915934 Si\n0.470738 0.232421 0.584066 Si\n0.470738 0.267579 0.084066 Si\n0.529261 0.767579 0.415934 Si\n0.428421 0.911365 0.159023 B\n0.571578 0.411365 0.340977 B\n0.571577 0.088635 0.840977 B\n0.428421 0.588635 0.659023 B\n0.810012 0.535144 0.577359 H\n0.189986 0.035144 0.922642 H\n0.810013 0.964856 0.077359 H\n0.189986 0.464856 0.422641 H\n0.678301 0.335258 0.211208 O\n0.261009 0.413738 0.336691 O\n0.738989 0.913738 0.163309 O\n0.687375 0.588991 0.354287 O\n0.312623 0.088991 0.145713 O\n0.312623 0.411009 0.645713 O\n0.687375 0.911009 0.854287 O\n0.321698 0.835258 0.288792 O\n0.678301 0.164742 0.711208 O\n0.241713 0.095458 0.535989 O\n0.325913 0.697575 0.542354 O\n0.674085 0.197575 0.957646 O\n0.674086 0.302425 0.457646 O\n0.325913 0.802425 0.042354 O\n0.758285 0.904542 0.464011 O\n0.241713 0.404542 0.035989 O\n0.261009 0.086262 0.836691 O\n0.758285 0.595458 0.964012 O\n0.321697 0.664742 0.788792 O\n0.738989 0.586262 0.663309 O\n",
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}
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}