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{
"id": "jvasp-73553",
"created_at": "2022-09-04T14:36:02.135139Z",
"updated_at": "2022-09-04T14:36:02.135154Z",
"structure_string": "Be2 Zn1 Rh1\n1.0\n2.874470 -0.000000 -0.000000\n0.000000 2.874470 -0.000000\n-0.000000 -0.000000 5.406999\nBe Zn Rh\n2 1 1\ndirect\n0.000000 0.000000 0.779803 Be\n0.000000 0.000000 0.220197 Be\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Rh\n",
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{
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"structure_string": "Na3 Co2 Sb1 O6\n1.0\n5.352128 0.036145 0.009503\n-2.633027 4.659547 0.004498\n-0.905675 -1.558007 5.348651\nNa Co Sb O\n3 2 1 6\ndirect\n0.176329 0.823664 0.500000 Na\n0.823671 0.176335 0.500000 Na\n0.500001 0.499999 0.500000 Na\n0.661732 0.338221 0.000003 Co\n0.338267 0.661778 -0.000004 Co\n-0.000003 -0.000002 -0.000003 Sb\n0.067163 0.386482 0.206647 O\n0.613532 0.932858 0.793344 O\n0.386470 0.067142 0.206657 O\n0.932838 0.613518 0.793354 O\n0.246164 0.246176 0.790470 O\n0.753837 0.753823 0.209530 O\n",
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{
"id": "jvasp-52653",
"created_at": "2022-09-04T14:37:30.326173Z",
"updated_at": "2022-09-04T14:37:30.326195Z",
"structure_string": "Hf4 O8\n1.0\n5.037152 0.000000 0.000000\n0.000000 5.064610 0.000000\n0.000000 0.000000 5.252929\nHf O\n4 8\ndirect\n0.267306 0.241650 0.032824 Hf\n0.267306 0.741650 0.467176 Hf\n0.732693 0.241650 0.532824 Hf\n0.732693 0.741650 0.967176 Hf\n0.071110 0.379698 0.367718 O\n0.071110 0.879698 0.132282 O\n0.459999 0.491652 0.733445 O\n0.459999 0.991652 0.766556 O\n0.540001 0.991652 0.266555 O\n0.540001 0.491652 0.233445 O\n0.928890 0.379698 0.867718 O\n0.928890 0.879698 0.632282 O\n",
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"volume": 134.00857688651442,
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"formula_full": "Hf4 O8",
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"spacegroup": 29
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{
"id": "jvasp-48575",
"created_at": "2022-09-04T14:36:44.026796Z",
"updated_at": "2022-09-04T14:36:44.026806Z",
"structure_string": "Li4 Mn2 F8\n1.0\n0.000000 3.224800 -0.017836\n9.647953 0.000000 0.000000\n0.000000 -0.028027 -5.024792\nLi Mn F\n4 2 8\ndirect\n0.499998 0.818284 0.482830 Li\n0.500001 0.318284 0.017170 Li\n0.499998 0.681716 0.982830 Li\n0.500001 0.181716 0.517170 Li\n-0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000009 0.373478 0.170537 F\n0.000009 0.126522 0.670537 F\n0.500002 0.628316 0.346396 F\n0.500002 0.871683 0.846396 F\n0.499998 0.128316 0.153604 F\n0.499997 0.371683 0.653604 F\n-0.000010 0.873478 0.329463 F\n-0.000010 0.626522 0.829463 F\n",
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{
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"created_at": "2022-09-04T14:35:59.082658Z",
"updated_at": "2022-09-04T14:35:59.082676Z",
"structure_string": "Na3 Co2 Sb1 O6\n1.0\n5.283366 0.039020 -0.856228\n-2.808327 4.475353 -0.856228\n-0.003492 -0.006369 5.643681\nNa Co Sb O\n3 2 1 6\ndirect\n0.500000 0.499999 0.499998 Na\n0.176321 0.823678 0.499999 Na\n0.823678 0.176323 0.500000 Na\n0.338194 0.661805 0.999998 Co\n0.661806 0.338194 0.999998 Co\n0.000000 0.000000 0.000000 Sb\n0.067162 0.386483 0.206674 O\n0.246190 0.246189 0.790494 O\n0.753810 0.753809 0.209505 O\n0.386482 0.067162 0.206674 O\n0.613518 0.932836 0.793324 O\n0.932837 0.613517 0.793324 O\n",
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{
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"created_at": "2022-09-04T14:38:08.854498Z",
"updated_at": "2022-09-04T14:38:08.854526Z",
"structure_string": "Zr2 Si2 O8\n1.0\n5.351540 0.009345 -1.630912\n-2.933390 4.475969 -1.630912\n-0.005039 -0.009345 5.594536\nZr Si O\n2 2 8\ndirect\n0.125000 0.875000 0.250001 Zr\n0.875000 0.125000 0.750001 Zr\n0.625000 0.375000 0.250001 Si\n0.375000 0.625000 0.750001 Si\n0.804673 0.370162 0.065489 O\n0.739184 0.804672 0.934513 O\n0.370161 0.804672 0.565489 O\n0.804673 0.739184 0.434513 O\n0.260816 0.195328 0.065489 O\n0.195327 0.629838 0.934512 O\n0.195327 0.260816 0.565489 O\n0.629839 0.195328 0.434512 O\n",
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{
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"created_at": "2022-09-04T14:38:09.318045Z",
"updated_at": "2022-09-04T14:38:09.318077Z",
"structure_string": "Mn1 Fe3\n1.0\n2.803608 0.000000 0.000000\n-0.000000 2.803608 0.000000\n-0.000000 0.000000 5.681973\nMn Fe\n1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.748075 Fe\n0.000000 0.000000 0.251924 Fe\n0.500000 0.500000 0.000000 Fe\n",
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},
{
"id": "jvasp-55719",
"created_at": "2022-09-04T14:38:08.188679Z",
"updated_at": "2022-09-04T14:38:08.188707Z",
"structure_string": "Li4 H4 Se2 O10\n1.0\n0.000000 5.584224 0.020164\n4.977108 0.000000 0.000000\n0.000000 -2.508775 -8.043456\nLi H Se O\n4 4 2 10\ndirect\n0.560117 0.410474 0.898090 Li\n0.682387 0.900957 0.503941 Li\n0.439883 0.910475 0.101911 Li\n0.317614 0.400957 0.496060 Li\n0.994778 0.774211 0.045570 H\n0.041797 0.015429 0.180415 H\n0.005223 0.274210 0.954431 H\n0.958204 0.515430 0.819586 H\n0.721401 0.401759 0.293531 Se\n0.278599 0.901759 0.706470 Se\n0.313051 0.236305 0.709264 O\n0.381833 0.776358 0.554850 O\n0.618167 0.276358 0.445151 O\n0.909169 0.440097 0.913846 O\n0.545036 0.281218 0.110651 O\n0.982126 0.811035 0.677928 O\n0.017875 0.311035 0.322073 O\n0.454965 0.781218 0.889350 O\n0.090831 0.940097 0.086155 O\n0.686950 0.736305 0.290737 O\n",
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"formula_full": "Li4 H4 Se2 O10",
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{
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"created_at": "2022-09-04T14:36:38.074150Z",
"updated_at": "2022-09-04T14:36:38.074158Z",
"structure_string": "Sm1 Co3 B2\n1.0\n2.527212 -4.377260 -0.000000\n2.527212 4.377260 -0.000000\n0.000000 0.000000 3.027677\nSm Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
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{
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"structure_string": "Li4 Fe6 F16\n1.0\n5.222541 0.035805 0.446676\n0.070879 5.532184 1.308975\n0.003615 -0.620812 9.901336\nLi Fe F\n4 6 16\ndirect\n0.303113 0.212869 0.801077 Li\n0.803753 0.900297 0.806443 Li\n0.196246 0.099703 0.193557 Li\n0.696887 0.787132 0.198923 Li\n0.752336 0.340134 -0.000547 Fe\n0.739956 0.176901 0.485226 Fe\n0.247664 0.659866 0.000547 Fe\n0.707357 0.603115 0.511611 Fe\n0.260044 0.823100 0.514774 Fe\n0.292642 0.396886 0.488390 Fe\n0.112302 0.151899 0.385485 F\n0.873644 0.077469 0.132182 F\n0.373683 0.841397 0.131522 F\n0.588260 0.920341 0.382857 F\n0.060565 0.665157 0.385034 F\n0.601240 0.456959 0.340044 F\n0.887697 0.848101 0.614516 F\n0.126356 0.922532 0.867819 F\n0.939434 0.334843 0.614967 F\n0.411739 0.079660 0.617144 F\n0.626316 0.158604 0.868478 F\n0.400493 0.352256 0.105383 F\n0.599506 0.647744 0.894617 F\n0.092920 0.419615 0.893344 F\n0.398759 0.543041 0.659956 F\n0.907079 0.580385 0.106656 F\n",
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{
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"structure_string": "Li4 V1 Fe3 O8\n1.0\n-5.043156 0.010679 0.012088\n0.011880 -5.531707 0.022585\n0.022670 0.061460 6.402490\nLi V Fe O\n4 1 3 8\ndirect\n0.991442 0.083309 0.618951 Li\n0.501184 0.424751 0.127714 Li\n0.993656 0.573853 0.875127 Li\n0.499547 0.909377 0.376863 Li\n0.501620 0.919278 0.876133 V\n0.989602 0.085544 0.129321 Fe\n0.503622 0.420257 0.622101 Fe\n-0.004722 0.580923 0.374630 Fe\n0.377921 0.071438 0.104217 O\n0.392430 0.079982 0.651016 O\n0.885184 0.415046 0.124047 O\n0.883141 0.416143 0.623688 O\n0.377759 0.576758 0.378152 O\n0.393417 0.612299 0.869567 O\n0.885137 0.913123 0.371598 O\n0.855469 0.917921 0.876885 O\n",
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}
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}