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{
"id": "jvasp-108072",
"created_at": "2022-09-04T14:38:28.565382Z",
"updated_at": "2022-09-04T14:38:28.565404Z",
"structure_string": "Sr1 Ga1 Si1\n1.0\n4.212240 -0.000000 0.000000\n-2.106120 3.647907 0.000000\n-0.000000 -0.000000 4.684018\nSr Ga Si\n1 1 1\ndirect\n0.333334 0.666667 -0.000000 Sr\n0.666667 0.333334 0.500000 Ga\n0.000000 0.000000 0.500000 Si\n",
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{
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"structure_string": "I1 Br2\n1.0\n4.419183 -0.551685 0.007592\n0.866123 -5.682551 -0.155735\n0.252566 -0.348461 -4.176311\nI Br\n1 2\ndirect\n0.965810 0.047791 0.067868 I\n0.286675 0.353290 0.782241 Br\n0.644992 0.742317 0.353464 Br\n",
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{
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"structure_string": "Np2 Si4 Pt4\n1.0\n4.247500 0.000000 0.000000\n0.000000 4.247500 0.000000\n-0.000000 0.000000 9.805719\nNp Si Pt\n2 4 4\ndirect\n0.000000 0.500000 0.746497 Np\n0.500000 0.000000 0.253503 Np\n0.000000 0.500000 0.133754 Si\n0.500000 0.000000 0.866246 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.378332 Pt\n0.500000 0.000000 0.621668 Pt\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 -0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:28.571695Z",
"updated_at": "2022-09-04T14:38:28.571724Z",
"structure_string": "Zr6 O2\n1.0\n5.018841 -0.006359 3.546401\n1.833070 4.672116 3.546401\n-0.009338 -0.006359 6.145375\nZr O\n6 2\ndirect\n0.591301 0.908699 0.250000 Zr\n0.249999 0.591302 0.908699 Zr\n0.908698 0.250000 0.591302 Zr\n0.408698 0.091301 0.750001 Zr\n0.750000 0.408699 0.091301 Zr\n0.091301 0.750001 0.408699 Zr\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "jvasp-24933",
"created_at": "2022-09-04T14:38:28.580364Z",
"updated_at": "2022-09-04T14:38:28.580410Z",
"structure_string": "In4 Te4 Cl4 O12\n1.0\n0.000000 7.181971 0.009680\n6.931881 0.000000 0.000000\n0.000000 -1.916795 -8.126761\nIn Te Cl O\n4 4 4 12\ndirect\n0.798126 0.750151 0.678388 In\n0.201875 0.249849 0.321612 In\n0.701875 0.250151 0.321612 In\n0.298126 0.749849 0.678388 In\n0.943464 0.731797 0.291668 Te\n0.556536 0.231797 0.708332 Te\n0.443465 0.768203 0.291667 Te\n0.056536 0.268203 0.708332 Te\n0.111472 0.793053 0.910249 Cl\n0.888528 0.206947 0.089751 Cl\n0.611472 0.706947 0.910249 Cl\n0.388529 0.293053 0.089751 Cl\n0.492395 0.283623 0.472236 O\n0.007605 0.783623 0.527763 O\n0.256611 0.444783 0.685227 O\n0.756611 0.055217 0.685227 O\n0.154855 0.554765 0.310159 O\n0.654855 0.945235 0.310159 O\n0.345146 0.054765 0.689841 O\n0.845146 0.445235 0.689841 O\n0.743390 0.555217 0.314772 O\n0.507605 0.716377 0.527764 O\n0.992395 0.216377 0.472236 O\n0.243390 0.944783 0.314772 O\n",
"nsites": 24,
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"elements": [
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{
"id": "jvasp-22944",
"created_at": "2022-09-04T14:38:28.581224Z",
"updated_at": "2022-09-04T14:38:28.581250Z",
"structure_string": "K8 Ga8 S16\n1.0\n7.341067 0.006048 -0.923365\n-0.122210 7.340047 -0.923365\n-0.006127 -0.006233 14.804676\nK Ga S\n8 8 16\ndirect\n0.672941 0.549488 0.448462 K\n0.242115 0.117890 0.724387 K\n0.672879 0.047722 0.446786 K\n0.047722 0.672880 0.946787 K\n0.744111 0.118610 0.726098 K\n0.118609 0.744112 0.226098 K\n0.549487 0.672942 0.948463 K\n0.117890 0.242115 0.224387 K\n0.808715 0.186561 -0.001606 Ga\n0.186532 0.314079 0.498259 Ga\n0.314079 0.186532 -0.001741 Ga\n0.605421 0.477664 0.174689 Ga\n0.477664 0.605421 0.674689 Ga\n0.982970 0.605340 0.674377 Ga\n0.605339 0.982971 0.174377 Ga\n0.186561 0.808715 0.498394 Ga\n0.840239 0.464948 0.086778 S\n0.037866 0.163562 0.904734 S\n0.163561 0.037867 0.404735 S\n0.839897 0.951648 0.086263 S\n0.537339 0.163202 0.901955 S\n0.326779 0.464945 0.086596 S\n0.464945 0.326779 0.586597 S\n0.628778 0.753964 0.268136 S\n0.753963 0.628779 0.768136 S\n0.951568 0.326862 0.586083 S\n0.326861 0.951567 0.086083 S\n0.254252 0.629624 0.770899 S\n0.629624 0.254252 0.270899 S\n0.464946 0.840239 0.586778 S\n0.951648 0.839898 0.586263 S\n0.163202 0.537339 0.401954 S\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 15
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{
"id": "jvasp-56647",
"created_at": "2022-09-04T14:38:28.581679Z",
"updated_at": "2022-09-04T14:38:28.581703Z",
"structure_string": "Ho4 Mo4 O16 F4\n1.0\n0.000000 5.201656 -0.000247\n12.270368 0.000000 0.000000\n0.000000 -2.620497 -6.117880\nHo Mo O F\n4 4 16 4\ndirect\n0.360984 0.050798 0.199850 Ho\n0.360984 0.449202 0.699850 Ho\n0.639017 0.949202 0.800150 Ho\n0.639017 0.550798 0.300150 Ho\n0.923131 0.855921 0.371158 Mo\n0.923130 0.644080 0.871158 Mo\n0.076870 0.355921 0.128843 Mo\n0.076870 0.144079 0.628843 Mo\n0.240264 0.654321 0.094831 O\n0.759737 0.154320 0.405170 O\n0.308153 0.434564 0.037630 O\n0.691848 0.934564 0.462370 O\n0.003203 0.430741 0.336657 O\n0.691848 0.565436 0.962370 O\n0.240264 0.845680 0.594831 O\n0.810143 0.778318 0.794343 O\n0.996798 0.930741 0.163343 O\n0.759736 0.345680 0.905170 O\n0.308152 0.065436 0.537630 O\n0.189858 0.221682 0.205658 O\n0.810143 0.721682 0.294343 O\n0.189857 0.278318 0.705658 O\n0.003203 0.069259 0.836657 O\n0.996798 0.569259 0.663343 O\n0.453820 0.900406 0.036402 F\n0.546181 0.400406 0.463599 F\n0.453819 0.599595 0.536402 F\n0.546181 0.099595 0.963599 F\n",
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{
"id": "jvasp-19790",
"created_at": "2022-09-04T14:38:28.585570Z",
"updated_at": "2022-09-04T14:38:28.585592Z",
"structure_string": "Pr1 Sb1\n1.0\n4.155313 0.000000 0.000000\n0.000000 4.155313 0.000000\n0.000000 0.000000 3.428519\nPr Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n",
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{
"id": "jvasp-26952",
"created_at": "2022-09-04T14:38:28.587528Z",
"updated_at": "2022-09-04T14:38:28.587554Z",
"structure_string": "Ca4 In2 N2\n1.0\n3.440294 0.000000 -0.601422\n0.000000 4.982148 -0.000000\n0.015955 -0.000000 10.231687\nCa In N\n4 2 2\ndirect\n0.781702 0.250000 0.563404 Ca\n0.218298 0.750000 0.436597 Ca\n0.620761 0.250000 0.241523 Ca\n0.379239 0.750000 0.758477 Ca\n0.959405 0.250000 0.918809 In\n0.040595 0.750000 0.081192 In\n0.199288 0.250000 0.398576 N\n0.800712 0.750000 0.601425 N\n",
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{
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"created_at": "2022-09-04T14:38:28.601962Z",
"updated_at": "2022-09-04T14:38:28.601988Z",
"structure_string": "Mg2 In4 Se8\n1.0\n0.000000 5.701623 5.700569\n5.701635 0.000006 5.700563\n5.701635 5.701617 0.000006\nMg In Se\n2 4 8\ndirect\n0.000001 -0.000001 -0.000001 Mg\n0.250000 0.250000 0.250000 Mg\n0.625000 0.625000 0.125000 In\n0.625001 0.125000 0.624999 In\n0.125001 0.624999 0.625000 In\n0.625001 0.624999 0.625000 In\n0.381634 0.381631 0.381715 Se\n0.855021 0.381715 0.381631 Se\n0.381718 0.855018 0.381632 Se\n0.381634 0.381632 0.855018 Se\n0.868284 0.394981 0.868367 Se\n0.868368 0.868367 0.394981 Se\n0.394981 0.868284 0.868368 Se\n0.868367 0.868367 0.868284 Se\n",
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{
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"created_at": "2022-09-04T14:38:28.602072Z",
"updated_at": "2022-09-04T14:38:28.602107Z",
"structure_string": "Zn4 Bi2 Sb2 O12\n1.0\n0.000000 5.514823 0.004634\n8.172270 0.000000 0.000000\n0.000000 -0.205082 -5.594504\nZn Bi Sb O\n4 2 2 12\ndirect\n0.522230 0.750000 0.505692 Zn\n0.477770 0.250000 0.494308 Zn\n0.011163 0.750000 0.966931 Zn\n0.988837 0.250000 0.033069 Zn\n0.000000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.361735 0.572563 0.308316 O\n0.863450 0.750000 0.633124 O\n0.638265 0.072563 0.691685 O\n0.614925 0.250000 0.137790 O\n0.819561 0.926374 0.125680 O\n0.180439 0.073626 0.874320 O\n0.819561 0.573626 0.125680 O\n0.361735 0.927437 0.308316 O\n0.385075 0.750000 0.862210 O\n0.638265 0.427437 0.691685 O\n0.180439 0.426374 0.874320 O\n0.136550 0.250000 0.366876 O\n",
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{
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"created_at": "2022-09-04T14:38:28.602372Z",
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"structure_string": "Ti8 Mn4 O16\n1.0\n5.789204 -0.001064 1.741586\n3.157638 5.155304 -0.000176\n0.006886 -0.003913 10.470993\nTi Mn O\n8 4 16\ndirect\n0.499997 0.500001 0.000004 Ti\n0.500003 -0.000001 0.499996 Ti\n0.500026 0.249959 0.250005 Ti\n0.499974 0.750042 0.749994 Ti\n0.500026 0.750012 0.250006 Ti\n0.499973 0.249989 0.749994 Ti\n0.999982 0.750007 0.250004 Ti\n0.000019 0.249993 0.749996 Ti\n0.875014 0.812495 0.937470 Mn\n0.124987 0.187505 0.062527 Mn\n0.874981 0.312508 0.437526 Mn\n0.125017 0.687494 0.562475 Mn\n0.740062 0.610151 0.870039 O\n0.740096 0.110155 0.370051 O\n0.259897 0.350256 0.629951 O\n0.259925 0.850220 0.129967 O\n0.740073 0.149785 0.870033 O\n0.740106 0.649741 0.370048 O\n0.279747 0.610134 0.870047 O\n0.740069 0.379962 0.639885 O\n0.259868 0.120075 0.860157 O\n0.259931 0.620039 0.360114 O\n0.259907 0.889847 0.629947 O\n0.259935 0.389848 0.129961 O\n0.720257 0.389865 0.129954 O\n0.740131 0.879927 0.139843 O\n0.279704 0.110152 0.370056 O\n0.720293 0.889850 0.629943 O\n",
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}
]
}