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{
"id": "jvasp-37330",
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"structure_string": "Tb2 B8 Ir8\n1.0\n7.675799 -0.000000 0.000000\n0.000000 7.675799 -0.000000\n-0.000000 -0.000000 3.974131\nTb B Ir\n2 8 8\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.656906 0.224447 0.111190 B\n0.224447 0.343094 0.888810 B\n0.775553 0.656906 0.888810 B\n0.343094 0.775553 0.111190 B\n0.275553 0.156906 0.611190 B\n0.156906 0.724447 0.388810 B\n0.843094 0.275553 0.388810 B\n0.724447 0.843094 0.611190 B\n0.392046 0.162115 0.112660 Ir\n0.892046 0.662115 0.387340 Ir\n0.107954 0.337885 0.387340 Ir\n0.337885 0.892046 0.612660 Ir\n0.662115 0.107954 0.612660 Ir\n0.837885 0.392046 0.887339 Ir\n0.162115 0.607954 0.887339 Ir\n0.607954 0.837885 0.112660 Ir\n",
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{
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"updated_at": "2022-09-04T14:38:10.037999Z",
"structure_string": "Mn6 O4 F8\n1.0\n0.000000 4.702691 0.018705\n4.643922 0.000000 0.000000\n0.000000 -4.577506 -9.577620\nMn O F\n6 4 8\ndirect\n0.137930 0.027645 0.175086 Mn\n0.500000 0.000000 0.500000 Mn\n0.862070 0.972355 0.824915 Mn\n0.500000 0.500000 0.000000 Mn\n0.862070 0.527644 0.324915 Mn\n0.137929 0.472355 0.675086 Mn\n0.145859 0.832296 0.335388 O\n0.854141 0.332296 0.164613 O\n0.854141 0.167704 0.664613 O\n0.145858 0.667704 0.835388 O\n0.445374 0.763399 0.661837 F\n0.554625 0.236601 0.338163 F\n0.197720 0.201709 0.012096 F\n0.445375 0.736600 0.161837 F\n0.802280 0.701709 0.487905 F\n0.197719 0.298291 0.512096 F\n0.554625 0.263399 0.838163 F\n0.802280 0.798291 0.987905 F\n",
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{
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"updated_at": "2022-09-04T14:38:16.119926Z",
"structure_string": "Li4 Cr2 P2 O8 F2\n1.0\n5.220306 0.017495 0.005720\n-0.388278 5.504658 0.025762\n-2.183429 -2.415443 6.721596\nLi Cr P O F\n4 2 2 8 2\ndirect\n0.114688 0.534899 0.094629 Li\n0.525927 0.215439 0.853473 Li\n0.500812 0.882835 0.467193 Li\n0.753234 0.443261 0.643911 Li\n-0.001742 0.004513 0.022302 Cr\n0.008026 0.994491 0.509804 Cr\n0.641127 0.330265 0.252954 P\n0.365509 0.682960 0.795756 P\n0.349472 0.262986 0.096096 O\n0.685376 0.596591 0.411292 O\n0.639583 0.788167 0.963888 O\n0.836254 0.321433 0.127861 O\n0.692244 0.134063 0.365567 O\n0.376670 0.407307 0.672300 O\n0.322794 0.870637 0.672025 O\n0.120757 0.675949 0.877056 O\n0.838127 0.133758 0.723798 F\n0.159027 0.852079 0.291510 F\n",
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{
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"created_at": "2022-09-04T14:38:29.369778Z",
"updated_at": "2022-09-04T14:38:29.369798Z",
"structure_string": "Ni2 Sb4 O12\n1.0\n4.693162 0.000000 0.000000\n0.000000 4.693162 0.000000\n0.000000 0.000000 9.386811\nNi Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.332690 Sb\n0.500000 0.500000 0.832690 Sb\n0.500000 0.500000 0.167310 Sb\n0.000000 0.000000 0.667310 Sb\n0.195453 0.804547 0.831012 O\n0.806864 0.193136 0.500000 O\n0.193136 0.806864 0.500000 O\n0.306864 0.306864 0.000000 O\n0.804547 0.195453 0.831012 O\n0.695453 0.695453 0.331012 O\n0.195453 0.804547 0.168988 O\n0.304547 0.304547 0.331012 O\n0.304547 0.304547 0.668988 O\n0.695453 0.695453 0.668988 O\n0.804547 0.195453 0.168988 O\n0.693136 0.693136 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:09.850483Z",
"updated_at": "2022-09-04T14:38:09.850510Z",
"structure_string": "Li3 B3 F12\n1.0\n2.390977 -4.141294 -0.000000\n2.390977 4.141294 0.000000\n0.000000 -0.000000 10.919566\nLi B F\n3 3 12\ndirect\n0.549072 0.000001 0.333333 Li\n0.000001 0.549072 0.666667 Li\n0.450929 0.450929 0.000000 Li\n0.442355 0.442355 0.500000 B\n0.557646 0.000001 0.833333 B\n0.000001 0.557646 0.166667 B\n0.403495 0.138953 0.467119 F\n0.264544 0.861048 0.199548 F\n0.138953 0.403495 0.532882 F\n0.596506 0.735458 0.866215 F\n0.427043 0.082149 0.934191 F\n0.572958 0.655106 0.399143 F\n0.917852 0.344896 0.267524 F\n0.861048 0.264544 0.800452 F\n0.344896 0.917852 0.732476 F\n0.082149 0.427043 0.065809 F\n0.655106 0.572958 0.600857 F\n0.735458 0.596506 0.133786 F\n",
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{
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"created_at": "2022-09-04T14:38:11.768708Z",
"updated_at": "2022-09-04T14:38:11.768737Z",
"structure_string": "Li4 V2 Si2 O10\n1.0\n6.387215 0.000000 0.000000\n0.000000 6.387215 -0.000000\n0.000000 0.000000 4.467036\nLi V Si O\n4 2 2 10\ndirect\n0.749999 0.749999 0.000000 Li\n0.250000 0.749999 0.000000 Li\n0.749999 0.250000 0.000000 Li\n0.250000 0.250000 0.000000 Li\n0.000000 0.500000 0.413565 V\n0.500000 0.000000 0.586436 V\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.293608 0.500000 0.278913 O\n0.706392 0.500000 0.278913 O\n0.206392 0.000000 0.721088 O\n0.500000 0.293608 0.721088 O\n0.500000 0.000000 0.214738 O\n0.793607 0.000000 0.721088 O\n0.000000 0.500000 0.785262 O\n0.000000 0.793607 0.278913 O\n0.500000 0.706392 0.721088 O\n0.000000 0.206392 0.278913 O\n",
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"formula_full": "Li4 V2 Si2 O10",
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{
"id": "jvasp-98096",
"created_at": "2022-09-04T14:38:17.672696Z",
"updated_at": "2022-09-04T14:38:17.672713Z",
"structure_string": "La6 Sc2 Bi10\n1.0\n9.845703 0.000000 0.000000\n-4.922852 8.526630 0.000000\n0.000000 0.000000 6.612385\nLa Sc Bi\n6 2 10\ndirect\n0.000000 0.618048 0.250000 La\n0.381952 0.381952 0.250000 La\n0.381952 0.000000 0.749999 La\n0.618048 0.618048 0.749999 La\n0.618048 0.000000 0.250000 La\n0.000000 0.381952 0.749999 La\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.740758 0.740758 0.250000 Bi\n0.000000 0.740758 0.749999 Bi\n0.740758 0.000000 0.749999 Bi\n0.259242 0.259242 0.749999 Bi\n0.000000 0.259242 0.250000 Bi\n0.666667 0.333333 0.000000 Bi\n0.333333 0.666667 0.500000 Bi\n0.259242 0.000000 0.250000 Bi\n0.333333 0.666667 0.000000 Bi\n0.666667 0.333333 0.500000 Bi\n",
"nsites": 18,
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{
"id": "jvasp-44785",
"created_at": "2022-09-04T14:38:09.840004Z",
"updated_at": "2022-09-04T14:38:09.840028Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n5.549130 -0.007705 -0.020119\n0.120700 5.548684 -0.013638\n0.040333 0.029256 6.159074\nLi Fe O F\n8 2 6 2\ndirect\n0.122699 0.027050 0.303649 Li\n0.799305 0.827647 0.495041 Li\n0.804035 0.822947 0.995050 Li\n0.299944 0.639161 0.213963 Li\n0.121113 0.391398 0.489018 Li\n0.615263 0.323370 0.713711 Li\n0.367419 0.144991 0.989000 Li\n0.003252 0.146225 0.803338 Li\n0.663861 0.299768 0.250677 Fe\n0.276181 0.687474 0.750927 Fe\n0.162628 0.862303 0.989209 O\n0.141071 0.745264 0.480626 O\n0.265855 0.355164 0.767002 O\n0.331492 0.289773 0.267050 O\n0.721343 0.164572 0.980299 O\n0.838595 0.186233 0.488929 O\n0.666054 0.672681 0.238445 F\n0.649116 0.689469 0.738437 F\n",
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{
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"created_at": "2022-09-04T14:38:09.447487Z",
"updated_at": "2022-09-04T14:38:09.447516Z",
"structure_string": "Te7 Mo6 S5\n1.0\n3.404340 -0.199384 0.000521\n1.191360 -8.821063 -0.154167\n1.519645 -3.260226 -13.996571\nTe Mo S\n7 6 5\ndirect\n0.613190 0.875673 0.897893 Te\n0.726138 0.450258 0.097518 Te\n0.031324 0.314902 0.622468 Te\n0.938915 0.231687 0.890434 Te\n0.356506 0.673489 0.613538 Te\n0.978839 0.660997 0.381308 Te\n0.300573 0.018570 0.380252 Te\n0.873024 0.504548 0.749409 Mo\n0.794447 0.172562 0.238543 Mo\n0.207006 0.829015 0.756978 Mo\n0.128370 0.506567 0.236691 Mo\n0.542686 0.154673 0.759937 Mo\n0.457684 0.836793 0.247857 Mo\n0.289375 0.566148 0.855079 S\n0.683250 0.979608 0.653929 S\n0.384377 0.093879 0.137392 S\n0.042190 0.774999 0.140671 S\n0.652118 0.355627 0.340103 S\n",
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{
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"created_at": "2022-09-04T14:38:05.058526Z",
"updated_at": "2022-09-04T14:38:05.058543Z",
"structure_string": "Al2 Se2 Br14\n1.0\n0.000000 7.137400 -0.291843\n6.668313 0.000000 0.000000\n0.000000 -3.368523 -12.581101\nAl Se Br\n2 2 14\ndirect\n0.678844 0.000029 0.341354 Al\n0.678844 -0.000029 0.841354 Al\n0.007258 0.597871 0.491164 Se\n0.007258 0.402129 0.991164 Se\n0.451670 0.832305 0.215817 Br\n0.451670 0.167695 0.715817 Br\n0.638736 0.344185 0.327845 Br\n0.638736 0.655815 0.827845 Br\n0.663516 0.874517 0.506249 Br\n0.663516 0.125482 0.006249 Br\n-0.014501 0.072791 0.814777 Br\n0.950548 0.624427 0.123257 Br\n0.206427 0.836244 0.601056 Br\n0.206427 0.163756 0.101056 Br\n0.252801 0.425774 0.428582 Br\n0.950549 0.375573 0.623257 Br\n0.252801 0.574226 0.928582 Br\n-0.014501 0.927208 0.314777 Br\n",
"nsites": 18,
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],
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"formula_full": "Al2 Se2 Br14",
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{
"id": "jvasp-54972",
"created_at": "2022-09-04T14:38:09.833236Z",
"updated_at": "2022-09-04T14:38:09.833254Z",
"structure_string": "Mg3 Ni9 B6\n1.0\n2.441809 -4.229336 0.000000\n2.441809 4.229336 -0.000000\n0.000000 0.000000 8.791179\nMg Ni B\n3 9 6\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.833333 Mg\n0.000000 0.000000 0.166667 Mg\n-0.000000 0.500000 0.333333 Ni\n0.500000 0.500000 0.375999 Ni\n-0.000000 0.500000 0.042665 Ni\n0.500000 0.500000 0.957335 Ni\n0.500000 -0.000000 0.000000 Ni\n0.500000 -0.000000 0.290668 Ni\n0.500000 -0.000000 0.709333 Ni\n-0.000000 0.500000 0.624001 Ni\n0.500000 0.500000 0.666667 Ni\n0.389497 0.778996 0.500000 B\n0.778996 0.389497 0.833333 B\n0.610503 0.389497 0.166667 B\n0.389497 0.610503 0.166667 B\n0.610503 0.221005 0.500000 B\n0.221005 0.610503 0.833333 B\n",
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{
"id": "jvasp-9580",
"created_at": "2022-09-04T14:38:16.632891Z",
"updated_at": "2022-09-04T14:38:16.632901Z",
"structure_string": "Ga3 P3 O12\n1.0\n2.454006 -4.250462 -0.000000\n2.454006 4.250462 0.000000\n0.000000 0.000000 11.155161\nGa P O\n3 3 12\ndirect\n0.546761 0.546761 0.000000 Ga\n0.000001 0.453240 0.666667 Ga\n0.453240 0.000001 0.333333 Ga\n0.547647 0.547647 0.500000 P\n0.000001 0.452354 0.166667 P\n0.452354 0.000001 0.833333 P\n0.082147 0.675187 0.275425 O\n0.917855 0.593042 0.057908 O\n0.675187 0.082147 0.724575 O\n0.406960 0.324814 0.391242 O\n0.405116 0.277167 0.869844 O\n0.127950 0.722835 0.796822 O\n0.872052 0.594886 0.536511 O\n0.593042 0.917855 0.942092 O\n0.594886 0.872052 0.463489 O\n0.277167 0.405116 0.130156 O\n0.722835 0.127950 0.203178 O\n0.324814 0.406960 0.608758 O\n",
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}
]
}