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{
"id": "jvasp-110155",
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{
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"structure_string": "Rb8 Co4 O12\n1.0\n6.550448 -0.004739 -3.227654\n3.437276 7.376772 -1.295790\n-0.010071 0.047148 8.240704\nRb Co O\n8 4 12\ndirect\n0.816965 0.208997 0.531032 Rb\n0.816959 0.709001 0.031040 Rb\n0.505072 0.959003 0.281027 Rb\n0.505072 0.458996 0.781025 Rb\n0.494930 0.531029 0.208998 Rb\n0.494921 0.031036 0.709003 Rb\n0.183043 0.281028 0.959000 Rb\n0.183039 0.781027 0.458993 Rb\n0.927844 0.119995 0.119996 Co\n0.072159 0.369997 0.369997 Co\n0.927838 0.619996 0.619997 Co\n0.072162 0.869996 0.869996 Co\n0.119707 0.625282 0.864724 O\n0.679378 0.119963 0.119968 O\n0.679370 0.619963 0.619968 O\n0.320627 0.369975 0.369969 O\n0.320631 0.869973 0.869970 O\n0.880292 0.114724 0.875281 O\n0.880299 0.614725 0.375285 O\n0.880258 0.864724 0.625282 O\n0.880247 0.364725 0.125282 O\n0.119748 0.875282 0.114725 O\n0.119755 0.375286 0.614727 O\n0.119699 0.125282 0.364726 O\n",
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{
"id": "jvasp-112740",
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"structure_string": "Na8 Fe4 O12\n1.0\n5.123719 0.005368 -0.834579\n0.411839 8.614832 2.520278\n0.004695 -0.018902 5.560718\nNa Fe O\n8 4 12\ndirect\n0.749967 0.250032 0.499944 Na\n0.249973 0.750032 0.499949 Na\n-0.000002 0.999986 0.000010 Na\n0.500000 0.499986 0.000014 Na\n0.235761 0.078603 0.500054 Na\n0.735764 0.578604 0.500062 Na\n0.264197 0.421455 0.500024 Na\n0.764197 0.921455 0.500022 Na\n0.000900 0.333619 0.999997 Fe\n0.499117 0.166360 -0.000009 Fe\n0.500901 0.833620 1.000000 Fe\n0.999120 0.666360 -0.000005 Fe\n0.588161 0.033769 0.802301 O\n0.654509 0.345504 0.801322 O\n0.154511 0.845502 0.801326 O\n0.845507 0.154484 0.198669 O\n0.345510 0.654483 0.198676 O\n0.344720 0.277165 0.197682 O\n0.844723 0.777165 0.197686 O\n0.911864 0.466217 0.197683 O\n0.411863 0.966216 0.197682 O\n0.155290 0.222807 0.802306 O\n0.655294 0.722807 0.802309 O\n0.088164 0.533771 0.802304 O\n",
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"formula_full": "Na8 Fe4 O12",
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"spacegroup": 12
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{
"id": "jvasp-111971",
"created_at": "2022-09-04T14:38:40.967943Z",
"updated_at": "2022-09-04T14:38:40.967970Z",
"structure_string": "Na8 Fe4 O12\n1.0\n5.183917 -0.000000 0.000000\n-2.591958 4.489404 -0.000000\n0.000000 -0.000000 10.636523\nNa Fe O\n8 4 12\ndirect\n-0.000000 0.681785 0.750000 Na\n0.318214 0.000000 0.250000 Na\n-0.000000 0.318214 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.318214 0.318214 0.750000 Na\n0.681786 0.000000 0.750000 Na\n0.681786 0.681785 0.250000 Na\n0.666667 0.333333 0.000000 Fe\n0.333333 0.666666 0.000000 Fe\n0.333333 0.666666 0.500000 Fe\n0.666667 0.333333 0.500000 Fe\n0.621639 0.621639 0.598413 O\n-0.000000 0.621639 0.098413 O\n-0.000000 0.621639 0.401587 O\n-0.000000 0.378361 0.598413 O\n-0.000000 0.378361 0.901587 O\n0.378361 0.000000 0.598413 O\n0.378361 0.000000 0.901587 O\n0.621640 0.000000 0.098413 O\n0.621640 0.000000 0.401587 O\n0.378361 0.378361 0.098413 O\n0.378361 0.378361 0.401587 O\n0.621639 0.621639 0.901587 O\n",
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{
"id": "jvasp-111024",
"created_at": "2022-09-04T14:38:36.839658Z",
"updated_at": "2022-09-04T14:38:36.839669Z",
"structure_string": "Na2 Tb1 O3\n1.0\n4.264536 -0.010951 -4.109635\n-0.433331 3.231265 -4.944354\n0.019464 0.010951 5.922414\nTb Na O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.677036 0.677034 0.000001 Na\n0.322965 0.322965 0.000000 Na\n0.500000 -0.000000 0.500000 O\n0.147338 0.647338 0.499999 O\n0.852662 0.352661 0.500000 O\n",
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"spacegroup": 71
},
{
"id": "jvasp-116812",
"created_at": "2022-09-04T14:38:45.796182Z",
"updated_at": "2022-09-04T14:38:45.796202Z",
"structure_string": "Fe4 O6 F2\n1.0\n4.462111 0.040751 0.000000\n-0.290141 4.452855 0.000000\n-0.000000 -0.000000 5.751770\nFe O F\n4 6 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.527687 0.472313 0.250000 Fe\n0.472313 0.527686 0.750000 Fe\n0.191334 0.808665 0.750000 O\n0.304017 0.304017 0.500000 O\n0.304017 0.304017 -0.000000 O\n0.695983 0.695982 -0.000000 O\n0.695983 0.695982 0.500000 O\n0.808666 0.191334 0.250000 O\n0.224368 0.775631 0.250000 F\n0.775632 0.224367 0.750000 F\n",
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{
"id": "jvasp-114450",
"created_at": "2022-09-04T14:38:40.519634Z",
"updated_at": "2022-09-04T14:38:40.519655Z",
"structure_string": "Ba2 Au1 O3\n1.0\n-1.885846 2.226210 6.704966\n1.885846 -2.226210 6.704966\n1.885846 2.226210 -6.704966\nBa Au O\n2 1 3\ndirect\n0.145865 0.645866 0.500001 Ba\n0.854135 0.354135 0.500000 Ba\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 O\n0.342892 0.842893 0.500001 O\n0.657108 0.157108 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:41.215398Z",
"updated_at": "2022-09-04T14:38:41.215415Z",
"structure_string": "Mg4 Nb2 N6\n1.0\n5.227495 0.005799 2.236486\n1.576906 4.983986 2.236486\n0.006352 0.004658 5.740155\nMg Nb N\n4 2 6\ndirect\n0.754382 0.915862 0.077216 Mg\n0.084139 0.245620 0.422784 Mg\n0.245619 0.084140 0.922783 Mg\n0.915862 0.754381 0.577216 Mg\n0.410700 0.589301 0.750000 Nb\n0.589301 0.410700 0.250000 Nb\n0.096410 0.903591 0.750000 N\n0.903591 0.096410 0.250000 N\n0.729148 0.587464 0.424455 N\n0.412538 0.270853 0.075545 N\n0.270853 0.412538 0.575545 N\n0.587463 0.729148 0.924454 N\n",
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{
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"updated_at": "2022-09-04T14:38:37.961479Z",
"structure_string": "Cu8 Sn4 Se12\n1.0\n7.022913 0.000799 0.596154\n-3.582293 6.040570 0.596154\n-0.025135 -0.044135 13.546161\nCu Sn Se\n8 4 12\ndirect\n0.085559 0.918899 0.742383 Cu\n0.918898 0.085559 0.242383 Cu\n0.232150 0.739928 0.241350 Cu\n0.739927 0.232151 0.741350 Cu\n0.152786 0.315137 0.492013 Cu\n0.315136 0.152787 0.992013 Cu\n0.838142 0.659359 0.490858 Cu\n0.659359 0.838143 0.990858 Cu\n0.427520 0.573763 0.748958 Sn\n0.573762 0.427520 0.248958 Sn\n0.493106 0.004433 0.500098 Sn\n0.004432 0.493107 0.000098 Sn\n0.751693 0.911500 0.810624 Se\n0.114517 0.968707 0.561674 Se\n0.968706 0.114517 0.061674 Se\n0.477369 0.617630 0.548078 Se\n0.617630 0.477370 0.048078 Se\n0.557312 0.040909 0.298799 Se\n0.040908 0.557313 0.798799 Se\n0.832151 0.329153 0.560919 Se\n0.329153 0.832152 0.060919 Se\n0.394389 0.197493 0.811541 Se\n0.197492 0.394389 0.311541 Se\n0.911500 0.751693 0.310624 Se\n",
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{
"id": "jvasp-113440",
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"structure_string": "Li2 B1 O3\n1.0\n4.104637 -2.366583 -0.068893\n4.104637 2.366583 -0.068893\n-0.172381 0.000000 2.787977\nLi B O\n2 1 3\ndirect\n0.827067 0.827067 0.908846 Li\n0.172934 0.172934 0.091158 Li\n0.500001 0.500001 0.500002 B\n0.642471 0.642471 0.341468 O\n1.000001 1.000001 0.500003 O\n0.357530 0.357530 0.658537 O\n",
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{
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"created_at": "2022-09-04T14:38:36.099844Z",
"updated_at": "2022-09-04T14:38:36.099878Z",
"structure_string": "Te12 Mo8 S4\n1.0\n-1.909133 -2.902216 -0.000411\n-0.000459 -0.001565 14.238257\n-8.050114 9.453689 0.001756\nTe Mo S\n12 8 4\ndirect\n0.644338 0.389532 0.644326 Te\n0.105648 0.889516 0.605646 Te\n0.917516 0.111439 0.417520 Te\n0.583250 0.875436 0.083249 Te\n0.407660 0.380934 0.907668 Te\n0.395433 0.124308 0.895429 Te\n0.592090 0.618296 0.092098 Te\n0.342325 0.880925 0.342309 Te\n0.166735 0.375441 0.166725 Te\n0.157927 0.118300 0.157928 Te\n0.354575 0.624294 0.354591 Te\n0.832508 0.611430 0.832510 Te\n0.332657 0.243657 0.332648 Mo\n0.677896 0.751945 0.677909 Mo\n0.813087 0.256303 0.813089 Mo\n0.936910 0.756287 0.436908 Mo\n0.072105 0.251960 0.572090 Mo\n0.417345 0.743650 0.917351 Mo\n0.574398 0.248025 0.074395 Mo\n0.175605 0.748020 0.175608 Mo\n0.906102 0.347459 0.406077 S\n0.095613 0.652690 0.595630 S\n0.654398 0.152709 0.654388 S\n0.843887 0.847450 0.843900 S\n",
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{
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"created_at": "2022-09-04T14:38:38.310920Z",
"updated_at": "2022-09-04T14:38:38.310929Z",
"structure_string": "Nd2 Co1 Si3\n1.0\n4.055281 0.000000 -0.000000\n-2.027640 3.511977 0.000000\n-0.000000 -0.000000 8.484875\nNd Co Si\n2 1 3\ndirect\n0.333333 0.666668 0.242202 Nd\n0.333333 0.666668 0.757797 Nd\n0.666667 0.333333 0.000000 Co\n0.666667 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
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}
]
}