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{
"id": "jvasp-103990",
"created_at": "2022-09-04T14:36:50.000781Z",
"updated_at": "2022-09-04T14:36:50.000803Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n3.960950 -0.000582 -0.002379\n-1.979375 5.898601 -1.563372\n0.004987 -0.052042 10.401862\nSn H C Cl\n2 8 4 4\ndirect\n0.974004 0.964871 0.728478 Sn\n0.966969 0.964889 0.228481 Sn\n0.152677 0.786663 0.411856 H\n0.330287 0.143687 0.045198 H\n0.610942 0.786123 0.911820 H\n0.788501 0.143063 0.545055 H\n0.257015 0.193855 0.550343 H\n0.911886 0.193613 0.050294 H\n0.029401 0.736282 0.906689 H\n0.684142 0.735787 0.406603 H\n0.944386 0.867089 0.418850 C\n-0.003269 0.062592 0.538086 C\n0.041726 0.062728 0.038119 C\n0.899482 0.867124 0.918868 C\n0.327734 0.662814 0.138060 Cl\n0.629692 0.266964 0.318917 Cl\n0.311402 0.662779 0.638081 Cl\n0.613376 0.266962 0.818860 Cl\n",
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{
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"created_at": "2022-09-04T14:36:55.028438Z",
"updated_at": "2022-09-04T14:36:55.028458Z",
"structure_string": "Rb2 Nd1 Ag1 I6\n1.0\n7.431819 -0.000000 4.290762\n2.477273 7.006786 4.290762\n-0.000000 -0.000000 8.581525\nRb Nd Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Nd\n0.000000 0.000000 0.000000 Ag\n0.754059 0.245941 0.245941 I\n0.245941 0.245941 0.754058 I\n0.245941 0.754059 0.754058 I\n0.245941 0.754059 0.245941 I\n0.754059 0.245941 0.754058 I\n0.754058 0.754059 0.245941 I\n",
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"formula_full": "Rb2 Nd1 Ag1 I6",
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{
"id": "jvasp-101970",
"created_at": "2022-09-04T14:37:03.550194Z",
"updated_at": "2022-09-04T14:37:03.550214Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n3.960457 0.004963 0.004854\n1.969007 5.897743 1.593839\n-0.011826 0.021973 10.401788\nSn H C Cl\n2 8 4 4\ndirect\n0.987391 0.972480 0.270653 Sn\n0.980478 0.972513 0.770646 Sn\n0.926828 0.743377 0.592761 H\n0.697436 0.201401 0.948589 H\n0.270439 0.743570 0.092719 H\n0.040989 0.201640 0.448533 H\n0.623504 0.150405 0.453914 H\n0.165962 0.150728 0.953876 H\n0.801903 0.794244 0.087432 H\n0.344328 0.794602 0.587377 H\n0.055611 0.874801 0.580355 C\n0.912221 0.070208 0.460938 C\n0.957744 0.070220 0.960942 C\n0.010127 0.874749 0.080365 C\n0.643079 0.670444 0.861298 Cl\n0.341333 0.274573 0.679986 Cl\n0.626510 0.670419 0.361319 Cl\n0.324768 0.274539 0.179989 Cl\n",
"nsites": 18,
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{
"id": "jvasp-44445",
"created_at": "2022-09-04T14:36:54.870233Z",
"updated_at": "2022-09-04T14:36:54.870245Z",
"structure_string": "Li4 Nb4 Cr4 O16\n1.0\n6.133253 0.000079 0.000156\n-0.000072 6.133254 0.000076\n-0.000089 -0.000371 8.278648\nLi Nb Cr O\n4 4 4 16\ndirect\n0.760800 -0.000000 -0.000002 Li\n0.239196 -0.000001 0.500000 Li\n0.000000 0.239198 0.250002 Li\n0.000002 0.760803 0.750002 Li\n0.754892 0.245103 0.625000 Nb\n0.245112 0.245115 0.875001 Nb\n0.754892 0.754893 0.375000 Nb\n0.245106 0.754890 0.125001 Nb\n0.499999 0.751215 0.750000 Cr\n0.248784 0.500002 0.500000 Cr\n0.751215 0.499998 0.000001 Cr\n0.500002 0.248785 0.250001 Cr\n0.018304 0.739743 0.495073 O\n-0.018308 0.739740 0.004929 O\n0.512848 0.735087 0.994727 O\n0.487147 0.735087 0.505272 O\n0.264913 0.512849 0.744729 O\n0.735088 0.512849 0.755274 O\n0.264912 0.487157 0.255271 O\n0.260260 0.018311 0.245072 O\n0.487155 0.264910 0.494731 O\n0.512851 0.264914 0.005273 O\n0.018309 0.260260 0.504927 O\n-0.018306 0.260254 -0.004927 O\n0.739741 -0.018307 0.745073 O\n0.739743 0.018303 0.254927 O\n0.735085 0.487145 0.244728 O\n0.260255 -0.018306 0.754927 O\n",
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"formula_full": "Li4 Nb4 Cr4 O16",
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{
"id": "jvasp-101871",
"created_at": "2022-09-04T14:36:50.006557Z",
"updated_at": "2022-09-04T14:36:50.006583Z",
"structure_string": "Sn1 H26 C14 O4\n1.0\n5.142142 0.020366 -0.490763\n-0.205533 6.626579 -1.861579\n-0.216497 -0.187957 11.524075\nSn H C O\n1 26 14 4\ndirect\n0.455383 0.591615 0.881420 Sn\n0.867542 0.734050 0.514291 H\n0.349043 0.543545 0.640909 H\n0.259070 0.794294 0.724662 H\n0.478252 0.636053 0.121095 H\n0.143932 0.604021 0.052130 H\n0.824783 0.855636 0.398079 H\n0.054127 0.575331 0.712905 H\n0.727237 0.178562 0.560324 H\n0.049519 0.098727 0.580542 H\n0.002581 0.062309 0.767277 H\n0.712916 0.907148 0.711279 H\n0.695657 0.039072 0.252946 H\n0.345029 0.385857 0.036981 H\n0.410370 0.288167 0.393170 H\n0.957108 0.168171 0.359678 H\n0.410157 0.840970 0.565723 H\n0.368126 0.930442 0.437414 H\n0.832467 0.489613 0.294671 H\n0.117630 0.984566 0.162509 H\n0.559358 0.349292 0.205708 H\n0.045808 0.126060 0.987463 H\n0.794809 0.282015 0.054426 H\n0.315807 0.604480 0.299688 H\n0.173025 0.577092 0.425061 H\n0.664292 0.451416 0.483631 H\n0.178442 0.247915 0.201496 H\n0.467928 0.814568 0.473798 C\n0.534525 0.420762 0.397011 C\n0.694336 0.364049 0.288716 C\n0.892205 0.138335 0.047148 C\n0.021955 0.130410 0.173292 C\n0.361032 0.602855 0.395155 C\n0.839824 0.166517 0.273159 C\n0.699029 0.964535 0.990413 C\n0.844858 0.057639 0.582411 C\n0.762615 0.855655 0.486390 C\n0.651028 0.223186 0.774758 C\n0.254145 0.632825 0.718239 C\n0.341404 0.547749 0.044512 C\n0.810825 0.049948 0.713939 C\n0.774510 0.397613 0.826628 O\n0.796777 0.789826 0.938927 O\n0.456779 0.977497 0.992484 O\n0.407239 0.210874 0.772819 O\n",
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"volume": 390.21487133705136,
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"formula_full": "Sn1 H26 C14 O4",
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},
{
"id": "jvasp-27714",
"created_at": "2022-09-04T14:36:59.919641Z",
"updated_at": "2022-09-04T14:36:59.919667Z",
"structure_string": "Mg2 Mn2 Ge4 O12\n1.0\n5.160757 -0.235039 0.900311\n1.045920 6.601814 0.573197\n-0.327658 -0.088912 6.700089\nMg Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.272505 0.727495 Mg\n0.250000 0.727495 0.272505 Mg\n0.750001 0.906036 0.093964 Mn\n0.250000 0.093964 0.906037 Mn\n0.787453 0.396634 0.207826 Ge\n0.712548 0.792173 0.603366 Ge\n0.212548 0.603366 0.792174 Ge\n0.287452 0.207826 0.396634 Ge\n0.638363 0.976992 0.785503 O\n0.861637 0.214498 0.023007 O\n0.611087 0.624066 0.146132 O\n0.888913 0.853868 0.375934 O\n0.388913 0.375934 0.853869 O\n0.899422 0.567553 0.709637 O\n0.100578 0.432447 0.290364 O\n0.399422 0.709636 0.567554 O\n0.138363 0.785502 0.976993 O\n0.600578 0.290363 0.432447 O\n0.111087 0.146132 0.624066 O\n0.361637 0.023007 0.214498 O\n",
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"volume": 232.09245431620687,
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"formula_full": "Mg2 Mn2 Ge4 O12",
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{
"id": "jvasp-106846",
"created_at": "2022-09-04T14:36:45.906602Z",
"updated_at": "2022-09-04T14:36:45.906622Z",
"structure_string": "Ba1 Ga2 Si1 S6\n1.0\n5.993393 0.022882 -1.400718\n-1.176347 6.048658 -1.052870\n-0.049526 0.041928 6.385950\nBa Ga Si S\n1 2 1 6\ndirect\n0.469521 0.457671 0.443441 Ba\n0.998026 0.845686 0.265994 Ga\n0.263455 0.984416 0.858410 Ga\n0.844882 0.274512 0.995552 Si\n0.036739 0.711036 0.581899 S\n0.591320 0.049761 0.734940 S\n0.711954 0.575882 0.017470 S\n0.896590 0.190434 0.313701 S\n0.345240 0.899780 0.198530 S\n0.158311 0.326867 0.906104 S\n",
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{
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"created_at": "2022-09-04T14:37:00.006783Z",
"updated_at": "2022-09-04T14:37:00.006800Z",
"structure_string": "Mo3 W1 Se6 S2\n1.0\n3.292149 -0.000000 0.000000\n-1.646074 2.851065 0.000010\n0.000000 0.000802 34.984898\nMo W Se S\n3 1 6 2\ndirect\n0.333318 0.666634 0.096687 Mo\n0.333325 0.666649 0.468839 Mo\n0.666659 0.333317 0.658069 Mo\n0.666704 0.333406 0.279318 W\n0.333343 0.666686 0.327787 Se\n0.333324 0.666647 0.706204 Se\n0.666663 0.333324 0.420655 Se\n0.666647 0.333292 0.517029 Se\n0.333385 0.666771 0.230861 Se\n0.333337 0.666673 0.609871 Se\n0.666650 0.333297 0.052838 S\n0.666646 0.333290 0.140591 S\n",
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{
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"created_at": "2022-09-04T14:36:54.448720Z",
"updated_at": "2022-09-04T14:36:54.448741Z",
"structure_string": "K2 Tl1 Au1 F6\n1.0\n5.569962 -0.000000 3.215819\n1.856654 5.251411 3.215819\n-0.000000 -0.000000 6.431638\nK Tl Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Au\n0.748332 0.251668 0.251668 F\n0.251668 0.251668 0.748333 F\n0.251667 0.748332 0.748333 F\n0.251667 0.748332 0.251668 F\n0.748332 0.251668 0.748333 F\n0.748331 0.748332 0.251669 F\n",
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{
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"created_at": "2022-09-04T14:36:54.456826Z",
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"structure_string": "H4 C8 S4 O2\n1.0\n5.014094 0.010076 -0.029502\n-0.019260 6.174898 -0.989178\n0.024841 0.653462 6.736094\nH C S O\n4 8 4 2\ndirect\n0.654166 0.967673 0.861175 H\n0.653458 0.944576 0.606586 H\n0.654168 0.467850 0.361034 H\n0.653460 0.444566 0.106449 H\n0.392268 0.229816 0.238153 C\n0.392266 0.729722 0.738158 C\n0.153803 0.856131 0.738759 C\n0.153806 0.356223 0.238703 C\n0.915299 0.229808 0.238168 C\n0.653798 0.844194 0.736193 C\n0.915298 0.729715 0.738173 C\n0.653802 0.344284 0.236126 C\n0.948890 0.460252 0.739253 S\n0.948892 0.960352 0.239320 S\n0.358599 0.460259 0.739153 S\n0.358602 0.960358 0.239220 S\n0.153846 0.560702 0.239839 O\n0.153844 0.060619 0.739991 O\n",
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{
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"created_at": "2022-09-04T14:36:55.115577Z",
"updated_at": "2022-09-04T14:36:55.115587Z",
"structure_string": "Li2 Co3 Ni1 O8\n1.0\n2.801688 -4.889726 0.006434\n2.833784 4.908256 -0.000000\n2.829263 1.638696 4.733257\nLi Co Ni O\n2 3 1 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n-0.000001 0.500000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.000000 0.000000 Ni\n0.269317 0.032717 0.203883 O\n0.268203 0.532594 0.203016 O\n0.759450 0.024960 0.209859 O\n0.759449 0.524629 0.209859 O\n0.240550 0.475370 0.790140 O\n0.240549 0.975039 0.790140 O\n0.731796 0.467406 0.796983 O\n0.730682 0.967283 0.796117 O\n",
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],
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{
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"created_at": "2022-09-04T14:36:46.444210Z",
"updated_at": "2022-09-04T14:36:46.444233Z",
"structure_string": "K2 Y1 Au1 F6\n1.0\n5.628814 -0.000000 3.249797\n1.876271 5.306897 3.249797\n-0.000000 -0.000000 6.499595\nK Y Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.499999 0.500000 0.500000 Au\n0.765596 0.234403 0.234403 F\n0.234403 0.234403 0.765597 F\n0.234402 0.765598 0.765597 F\n0.234402 0.765598 0.234403 F\n0.765596 0.234403 0.765597 F\n0.765596 0.765598 0.234404 F\n",
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}
]
}