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{
"id": "jvasp-116855",
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"structure_string": "Li7 Ni5 O12\n1.0\n5.135341 -0.009171 -2.580912\n-1.940696 6.008482 -0.676681\n-0.035786 0.039899 6.422083\nLi Ni O\n7 5 12\ndirect\n0.244282 0.672503 0.163690 Li\n0.000000 0.000000 0.000000 Li\n0.747867 0.997028 0.497814 Li\n0.756669 0.676178 0.163308 Li\n0.755716 0.327497 0.836310 Li\n0.252131 0.002972 0.502185 Li\n0.243329 0.323822 0.836691 Li\n0.496720 0.332063 0.329650 Ni\n0.500000 0.000000 0.000000 Ni\n0.000398 0.331311 0.330518 Ni\n-0.000400 0.668689 0.669481 Ni\n0.503278 0.667937 0.670349 Ni\n0.631940 0.319066 0.088504 O\n0.859805 0.660629 0.887501 O\n0.390809 0.018274 0.241504 O\n0.609189 0.981726 0.758495 O\n0.368058 0.680934 0.911496 O\n0.860808 0.015991 0.242008 O\n0.870009 0.346719 0.562776 O\n0.139190 0.984009 0.757991 O\n0.140193 0.339371 0.112499 O\n0.367851 0.349393 0.575118 O\n0.632147 0.650607 0.424881 O\n0.129989 0.653281 0.437223 O\n",
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{
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"structure_string": "Al4 H16 N4 F16\n1.0\n5.076894 0.000000 0.000000\n0.000000 5.076894 0.000000\n0.000000 0.000000 12.793718\nAl H N F\n4 16 4 16\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.168195 0.001121 0.703485 H\n0.501121 0.668194 0.203485 H\n0.331805 0.501121 0.703485 H\n0.001121 0.831804 0.796515 H\n0.168195 0.001121 0.296515 H\n0.501121 0.668194 0.796515 H\n0.331805 0.501121 0.296515 H\n0.001121 0.831804 0.203485 H\n0.831804 0.998878 0.296515 H\n0.498879 0.331805 0.796515 H\n0.668194 0.498879 0.296515 H\n0.998878 0.168195 0.203485 H\n0.831804 0.998878 0.703485 H\n0.498879 0.331805 0.203485 H\n0.668194 0.498879 0.703485 H\n0.998878 0.168195 0.796515 H\n0.000000 0.000000 0.250000 N\n0.000000 0.000000 0.750000 N\n0.500000 0.500000 0.250000 N\n0.500000 0.500000 0.750000 N\n0.803118 0.803477 0.500000 F\n0.803477 0.196881 0.000000 F\n0.696521 0.696880 0.000000 F\n0.303119 0.696521 0.500000 F\n0.196522 0.803118 0.000000 F\n0.196881 0.196522 0.500000 F\n0.000000 0.500000 0.859475 F\n0.500000 0.000000 0.140525 F\n0.500000 0.000000 0.859475 F\n0.000000 0.500000 0.359475 F\n0.000000 0.500000 0.140525 F\n0.500000 0.000000 0.640525 F\n0.000000 0.500000 0.640525 F\n0.696880 0.303478 0.500000 F\n0.500000 0.000000 0.359475 F\n0.303478 0.303119 0.000000 F\n",
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{
"id": "jvasp-119589",
"created_at": "2022-09-04T14:38:53.972012Z",
"updated_at": "2022-09-04T14:38:53.972043Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n7.137852 -0.004376 2.363873\n6.573328 2.782139 2.363873\n0.030364 0.006152 9.959905\nLi Mn Co O\n7 2 3 12\ndirect\n0.162385 0.162385 0.255497 Li\n0.838279 0.838277 0.735944 Li\n0.499364 0.499363 0.277783 Li\n0.171955 0.171954 0.743627 Li\n0.833463 0.833461 0.256009 Li\n0.495027 0.495026 0.729077 Li\n-0.004938 -0.004938 0.503981 Li\n0.000480 0.000480 0.000268 Mn\n0.663077 0.663075 0.496559 Mn\n0.666743 0.666741 0.001167 Co\n0.336069 0.336068 0.501023 Co\n0.333771 0.333770 -0.001230 Co\n0.753181 0.753179 0.609531 O\n0.244457 0.244456 0.895597 O\n0.907412 0.907410 0.387177 O\n0.579795 0.579793 0.889596 O\n0.246740 0.246739 0.388568 O\n0.914905 0.914903 0.890074 O\n0.592436 0.592434 0.379386 O\n0.093179 0.093179 0.613704 O\n0.755905 0.755904 0.104652 O\n0.409812 0.409810 0.620545 O\n0.085810 0.085810 0.110796 O\n0.420705 0.420704 0.110670 O\n",
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{
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"created_at": "2022-09-04T14:38:44.443460Z",
"updated_at": "2022-09-04T14:38:44.443480Z",
"structure_string": "Li3 Mn2 Fe1 O6\n1.0\n6.223850 0.076882 1.576100\n5.542907 2.831677 1.576100\n0.049337 0.012195 5.766162\nLi Mn Fe O\n3 2 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.664627 0.664629 0.665785 Li\n0.335372 0.335373 0.334214 Li\n0.665241 0.665242 0.169495 Mn\n0.334758 0.334760 0.830504 Mn\n-0.000001 0.000001 0.500000 Fe\n0.162400 0.162401 0.404256 O\n0.828310 0.828310 0.070884 O\n0.837599 0.837601 0.595743 O\n0.494545 0.494547 0.737131 O\n0.505454 0.505455 0.262868 O\n0.171689 0.171692 0.929115 O\n",
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{
"id": "jvasp-103798",
"created_at": "2022-09-04T14:37:10.136355Z",
"updated_at": "2022-09-04T14:37:10.136376Z",
"structure_string": "H8 C8 O4\n1.0\n4.852028 -0.000365 0.000010\n-0.000483 4.844444 -0.004847\n-0.000006 0.005896 7.015452\nH C O\n8 8 4\ndirect\n0.733603 0.102139 0.000245 H\n0.942101 0.017656 0.199148 H\n0.233590 0.381769 0.500217 H\n0.442059 0.466415 0.699131 H\n0.942079 0.517554 0.780755 H\n0.733607 0.602133 0.979669 H\n0.442080 0.966312 0.280742 H\n0.233587 0.881761 0.479646 H\n0.095818 0.864004 0.939139 C\n0.595800 0.120029 0.540752 C\n0.595808 0.620007 0.439131 C\n0.448109 0.893676 0.429954 C\n0.095827 0.364025 0.040753 C\n0.448105 0.393703 0.549920 C\n0.948126 0.090303 0.049937 C\n0.948123 0.590277 0.929964 C\n0.825013 0.090627 0.611962 O\n0.825032 0.590584 0.367940 O\n0.325050 0.393533 0.111944 O\n0.325033 0.893491 0.867930 O\n",
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{
"id": "jvasp-106784",
"created_at": "2022-09-04T14:36:50.809031Z",
"updated_at": "2022-09-04T14:36:50.809056Z",
"structure_string": "Li1 Co2 O3\n1.0\n3.683309 0.006889 -3.359567\n-0.328641 2.717954 -4.166320\n-0.036371 -0.006889 4.985191\nLi Co O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.662918 0.662917 -0.000001 Co\n0.337083 0.337082 -0.000000 Co\n0.500000 -0.000000 0.500000 O\n0.186202 0.686201 0.499999 O\n0.813798 0.313798 0.500000 O\n",
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},
{
"id": "jvasp-18392",
"created_at": "2022-09-04T14:38:12.563681Z",
"updated_at": "2022-09-04T14:38:12.563709Z",
"structure_string": "H2 S1\n1.0\n2.832402 0.000000 1.635288\n0.944134 2.670414 1.635288\n-0.000000 -0.000000 3.270577\nH S\n2 1\ndirect\n0.749999 0.749999 0.750003 H\n0.250000 0.250000 0.250001 H\n0.000000 0.000000 0.000000 S\n",
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{
"id": "jvasp-108821",
"created_at": "2022-09-04T14:38:20.098380Z",
"updated_at": "2022-09-04T14:38:20.098402Z",
"structure_string": "Li2 V2 O4\n1.0\n4.080085 0.171123 -0.000156\n-1.857919 4.022820 -1.971674\n0.000147 0.000402 3.942557\nLi V O\n2 2 4\ndirect\n0.399117 0.265687 0.877825 Li\n0.599634 0.736091 0.613004 Li\n0.099497 0.774282 0.132097 V\n0.899259 0.227453 0.358697 V\n0.889860 0.256300 0.873124 O\n0.108892 0.745445 0.617677 O\n0.392090 0.243948 0.366948 O\n0.606669 0.757797 0.123855 O\n",
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{
"id": "jvasp-47638",
"created_at": "2022-09-04T14:36:55.509593Z",
"updated_at": "2022-09-04T14:36:55.509616Z",
"structure_string": "Li3 Cr1 Co2 O6\n1.0\n2.821266 0.004722 -0.002137\n-0.009592 5.765965 0.026837\n-1.403437 -1.514530 6.077420\nLi Cr Co O\n3 1 2 6\ndirect\n0.001622 0.495364 0.007761 Li\n0.331454 0.165199 0.667307 Li\n0.661312 0.835049 0.326854 Li\n0.331472 0.665190 0.667291 Cr\n0.998132 0.000154 0.000621 Co\n0.664790 0.330229 0.333961 Co\n0.492532 0.764608 0.989421 O\n0.826438 0.420759 0.657222 O\n0.156238 0.097688 0.316841 O\n0.836503 0.909628 0.677357 O\n0.170392 0.565776 0.345161 O\n0.506678 0.232693 0.017738 O\n",
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"structure_string": "Be5 Fe1\n1.0\n-2.913866 -2.913866 0.000000\n-2.913866 -0.000000 -2.913866\n-0.000000 -2.913866 -2.913866\nBe Fe\n5 1\ndirect\n0.374144 0.374144 0.374144 Be\n0.877570 0.374144 0.374144 Be\n0.374144 0.877570 0.374144 Be\n0.374144 0.374144 0.877570 Be\n0.750001 0.750001 0.750001 Be\n0.000000 0.000000 0.000000 Fe\n",
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},
{
"id": "jvasp-119127",
"created_at": "2022-09-04T14:38:35.167921Z",
"updated_at": "2022-09-04T14:38:35.167946Z",
"structure_string": "V3 Cr3 B8\n1.0\n2.955556 0.000000 0.000000\n0.000000 2.991580 0.000000\n-0.000000 0.000000 13.061576\nV Cr B\n3 3 8\ndirect\n0.000000 0.000000 0.810697 V\n0.500001 0.000000 0.001745 V\n-0.000000 0.500000 0.498641 V\n0.000000 0.000000 0.187097 Cr\n0.500001 0.500000 0.687769 Cr\n0.500001 0.500000 0.312901 Cr\n0.500001 0.000000 0.432007 B\n-0.000000 0.500000 0.935193 B\n-0.000000 0.500000 0.068409 B\n0.500001 0.000000 0.565269 B\n0.000000 0.000000 0.359610 B\n0.500001 0.500000 0.863406 B\n0.500001 0.500000 0.140803 B\n0.000000 0.000000 0.636454 B\n",
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],
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"volume": 115.48761042212513,
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},
{
"id": "jvasp-120424",
"created_at": "2022-09-04T14:38:37.241729Z",
"updated_at": "2022-09-04T14:38:37.241747Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n6.383282 -0.020276 0.696028\n0.702383 6.344553 0.696028\n0.072304 0.064534 4.901213\nLi Mn Co O\n7 4 1 12\ndirect\n0.092001 0.429853 0.757298 Li\n0.570146 0.907998 0.242703 Li\n0.927082 0.586871 0.247024 Li\n0.413128 0.072917 0.752977 Li\n0.746114 0.749731 0.755700 Li\n0.250267 0.253885 0.244301 Li\n0.332274 0.667725 0.000001 Li\n0.006178 0.993821 0.000001 Mn\n0.496113 0.503885 0.500000 Mn\n0.830059 0.169940 0.500000 Mn\n0.666155 0.333844 0.000001 Mn\n0.168200 0.831798 0.500000 Co\n0.947827 0.280834 0.121824 O\n0.449686 0.778040 0.608659 O\n0.777505 0.450505 0.633722 O\n0.270135 0.957958 0.134058 O\n0.626218 0.601522 0.139054 O\n0.109535 0.109767 0.631049 O\n0.221959 0.550313 0.391342 O\n0.719164 0.052172 0.878177 O\n0.042041 0.729864 0.865943 O\n0.549493 0.222493 0.366279 O\n0.890231 0.890463 0.368952 O\n0.398477 0.373780 0.860947 O\n",
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],
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"formula_full": "Li7 Mn4 Co1 O12",
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}
]
}