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{
"id": "jvasp-9923",
"created_at": "2022-09-04T14:38:09.515742Z",
"updated_at": "2022-09-04T14:38:09.515759Z",
"structure_string": "Sn4 O8\n1.0\n3.208733 0.000000 -0.000000\n-1.604367 4.986544 -0.000000\n-0.000000 0.000000 10.402395\nSn O\n4 8\ndirect\n0.863000 0.726004 0.081646 Sn\n0.136998 0.273995 0.918354 Sn\n0.863000 0.726004 0.418354 Sn\n0.136998 0.273995 0.581645 Sn\n0.232745 0.465490 0.397138 O\n0.767253 0.534510 0.602862 O\n0.767253 0.534510 0.897137 O\n0.232745 0.465490 0.102862 O\n0.953664 0.907332 0.250000 O\n0.046334 0.092668 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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{
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{
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"structure_string": "Ho1 Rh3 C1\n1.0\n4.162451 -0.000000 -0.000000\n0.000000 4.162451 -0.000000\n-0.000000 0.000000 4.162451\nHo Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
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{
"id": "jvasp-45909",
"created_at": "2022-09-04T14:38:09.503957Z",
"updated_at": "2022-09-04T14:38:09.503980Z",
"structure_string": "Li2 Ti4 V1 O8\n1.0\n2.883261 -5.070117 -0.000000\n2.992026 5.056379 0.045812\n2.918183 -1.695377 4.837674\nLi Ti V O\n2 4 1 8\ndirect\n0.000000 -0.000000 0.500000 Li\n0.500000 -0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 -0.000000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000001 0.500000 0.499999 Ti\n0.500000 -0.000000 0.000000 V\n0.994897 0.247088 0.751759 O\n0.514730 0.254951 0.225491 O\n0.992574 0.242344 0.257196 O\n0.500434 0.247088 0.751759 O\n0.499568 0.752912 0.248240 O\n0.007427 0.757655 0.742802 O\n0.485271 0.745049 0.774508 O\n0.005105 0.752912 0.248240 O\n",
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{
"id": "jvasp-45933",
"created_at": "2022-09-04T14:38:09.502416Z",
"updated_at": "2022-09-04T14:38:09.502445Z",
"structure_string": "Li4 V3 Cr1 O8\n1.0\n5.121296 -0.017153 0.005118\n-0.812236 4.992870 0.005221\n-1.675748 -0.286139 5.595470\nLi V Cr O\n4 3 1 8\ndirect\n0.996224 0.002368 0.997869 Li\n-0.004745 0.497251 0.246524 Li\n0.004744 0.002749 0.503474 Li\n0.003774 0.497630 0.752132 Li\n0.500164 0.750784 0.133546 V\n0.500000 0.250002 0.374999 V\n0.499838 0.749216 0.616456 V\n0.500001 0.250001 0.875002 Cr\n0.730588 0.125269 0.180163 O\n0.269354 0.376445 0.065074 O\n0.742183 0.620814 0.435751 O\n0.257816 0.879188 0.314250 O\n0.730645 0.123556 0.684925 O\n0.269411 0.374732 0.569839 O\n0.722684 0.620217 0.930509 O\n0.277315 0.879783 0.819492 O\n",
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{
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"created_at": "2022-09-04T14:38:09.493112Z",
"updated_at": "2022-09-04T14:38:09.493122Z",
"structure_string": "Mn6 Si4 Te12\n1.0\n3.508863 -6.077529 0.000000\n3.508863 6.077529 -0.000000\n-0.000000 -0.000000 11.650173\nMn Si Te\n6 4 12\ndirect\n0.333333 0.666667 0.505036 Mn\n0.333333 0.666667 0.250000 Mn\n0.666667 0.333333 0.005037 Mn\n0.333333 0.666667 0.994963 Mn\n0.666667 0.333333 0.750000 Mn\n0.666667 0.333333 0.494963 Mn\n0.000000 0.000000 0.147623 Si\n0.000000 0.000000 0.352377 Si\n0.000000 0.000000 0.647623 Si\n0.000000 0.000000 0.852377 Si\n0.986066 0.361915 0.881510 Te\n0.624151 0.638084 0.381510 Te\n0.013933 0.375849 0.381510 Te\n0.638084 0.624151 0.881510 Te\n0.361915 0.375848 0.118490 Te\n0.375849 0.013933 0.881510 Te\n0.375848 0.361915 0.618490 Te\n0.013933 0.638084 0.118490 Te\n0.361915 0.986066 0.381510 Te\n0.638084 0.013933 0.618490 Te\n0.986066 0.624151 0.618490 Te\n0.624151 0.986066 0.118490 Te\n",
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"density_atomic": 0.044275845047463715,
"volume": 496.8849262259364,
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{
"id": "jvasp-12552",
"created_at": "2022-09-04T14:38:09.491868Z",
"updated_at": "2022-09-04T14:38:09.491891Z",
"structure_string": "H8 Br2 N2\n1.0\n5.703863 0.000000 0.000000\n0.000000 5.703863 0.000000\n0.000000 -0.000000 4.063732\nH Br N\n8 2 2\ndirect\n0.850113 0.000000 0.851906 H\n0.149886 0.000000 0.851906 H\n0.500000 0.350113 0.851906 H\n0.500000 0.649886 0.851906 H\n0.000000 0.149886 0.148093 H\n0.649886 0.500000 0.148093 H\n0.350113 0.500000 0.148093 H\n0.000000 0.850113 0.148093 H\n0.500000 0.000000 0.534375 Br\n0.000000 0.500000 0.465624 Br\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
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"formula_full": "H8 Br2 N2",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-108849",
"created_at": "2022-09-04T14:38:09.486316Z",
"updated_at": "2022-09-04T14:38:09.486329Z",
"structure_string": "K2 Tl1 Hg1 Br6\n1.0\n6.932639 -0.000000 4.002561\n2.310880 6.536154 4.002561\n-0.000000 -0.000000 8.005122\nK Tl Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.746317 0.253683 0.253683 Br\n0.253683 0.253683 0.746317 Br\n0.253683 0.746316 0.746317 Br\n0.253683 0.746316 0.253683 Br\n0.746317 0.253683 0.746317 Br\n0.746317 0.746316 0.253683 Br\n",
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{
"id": "jvasp-9659",
"created_at": "2022-09-04T14:38:09.486240Z",
"updated_at": "2022-09-04T14:38:09.486268Z",
"structure_string": "Na2 Ta2 O6\n1.0\n5.515179 0.000000 -0.000000\n0.000000 5.515179 0.000000\n-0.000000 0.000000 3.985583\nNa Ta O\n2 2 6\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.196254 0.696254 0.000000 O\n0.696254 0.803746 0.000000 O\n0.303746 0.196254 0.000000 O\n0.803746 0.303746 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:09.485568Z",
"updated_at": "2022-09-04T14:38:09.485603Z",
"structure_string": "Li4 Mn4 B4 O16\n1.0\n4.433910 0.000000 0.000000\n0.000000 5.472424 0.000000\n0.000000 0.000000 9.402558\nLi Mn B O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.989434 0.250000 0.729442 Mn\n0.510566 0.250000 0.229442 Mn\n0.489434 0.749999 0.770559 Mn\n0.010566 0.749999 0.270559 Mn\n0.561960 0.749999 0.090760 B\n0.938041 0.749999 0.590761 B\n0.061960 0.250000 0.409240 B\n0.438041 0.250000 0.909240 B\n0.244289 0.749999 0.102775 O\n0.255711 0.749999 0.602775 O\n0.680925 0.749999 0.946550 O\n0.819075 0.749999 0.446550 O\n0.775388 0.539003 0.669790 O\n0.724612 0.539003 0.169790 O\n0.224612 0.460996 0.330211 O\n0.224612 0.039003 0.330211 O\n0.744289 0.250000 0.397225 O\n0.319075 0.250000 0.053450 O\n0.755711 0.250000 0.897225 O\n0.180925 0.250000 0.553450 O\n0.775388 0.960996 0.669790 O\n0.275388 0.039003 0.830211 O\n0.275388 0.460996 0.830211 O\n0.724612 0.960996 0.169790 O\n",
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}