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{
"id": "jvasp-45841",
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"structure_string": "Li4 V2 C4 O12\n1.0\n5.244357 0.040848 0.083761\n-2.577595 -5.652878 -0.069956\n-2.487509 0.023467 -8.293953\nLi V C O\n4 2 4 12\ndirect\n0.213401 0.459738 0.167409 Li\n0.796386 0.960005 0.333312 Li\n0.509461 0.051880 0.667223 Li\n0.592335 0.552099 0.833119 Li\n0.866928 0.505880 0.500227 V\n0.116856 0.005968 0.000227 V\n0.840825 0.602948 0.199658 C\n0.391705 0.102832 0.300758 C\n-0.005727 0.908995 0.699690 C\n0.044507 0.408945 0.800780 C\n0.788145 0.908501 0.754775 O\n0.956669 0.862228 0.551582 O\n0.245821 0.954953 0.805736 O\n0.190236 0.454896 0.694788 O\n0.548958 0.149504 0.448852 O\n0.491202 0.056859 0.194627 O\n0.131101 0.103439 0.245782 O\n0.849630 0.649894 0.051529 O\n0.046565 0.556973 0.305537 O\n0.154650 0.362134 0.948895 O\n0.635365 0.603311 0.254971 O\n0.783375 0.408478 0.745609 O\n",
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{
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"structure_string": "Li2 Cr3 Co1 O8\n1.0\n5.795095 -0.001161 -0.000821\n2.896543 5.019280 -0.000821\n2.896543 1.672320 4.732496\nLi Cr Co O\n2 3 1 8\ndirect\n0.121876 0.121876 0.121876 Li\n0.500229 0.500230 0.500231 Li\n0.010728 0.497211 0.497211 Cr\n0.497210 0.497211 0.010729 Cr\n0.497210 0.010729 0.497211 Cr\n0.880126 0.880128 0.880129 Co\n0.258775 0.258776 0.258776 O\n0.249440 0.713590 0.249441 O\n0.249440 0.249441 0.713591 O\n0.713589 0.249441 0.249441 O\n0.282760 0.748351 0.748352 O\n0.748350 0.748351 0.282762 O\n0.748350 0.282761 0.748352 O\n0.741902 0.741903 0.741904 O\n",
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{
"id": "jvasp-37027",
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"updated_at": "2022-09-04T14:38:05.548463Z",
"structure_string": "Ti1 Ga1 Fe1 Co1\n1.0\n2.898677 2.898677 0.000000\n2.898677 -0.000000 -2.898677\n-0.000000 2.898677 -2.898677\nTi Ga Fe Co\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Ga\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n",
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{
"id": "jvasp-47752",
"created_at": "2022-09-04T14:38:15.024009Z",
"updated_at": "2022-09-04T14:38:15.024040Z",
"structure_string": "Li4 Cr4 Si2 O12\n1.0\n5.069691 -0.028456 -0.000016\n-1.746546 4.759356 -0.000695\n-1.661434 -2.364242 8.390555\nLi Cr Si O\n4 4 2 12\ndirect\n0.311066 0.310671 0.621808 Li\n0.995580 0.995137 0.990985 Li\n0.745632 0.245217 0.490950 Li\n0.061023 0.560556 0.121819 Li\n0.482504 0.482167 0.964842 Cr\n0.824077 0.823748 0.647941 Cr\n0.232526 0.732194 0.464843 Cr\n0.574043 0.073710 0.147936 Cr\n0.653297 0.652950 0.306392 Si\n0.403289 0.902950 0.806388 Si\n0.274138 0.755335 0.965955 O\n0.960463 0.941670 0.465957 O\n0.615984 0.690240 0.806387 O\n0.505711 0.523837 0.465961 O\n0.190591 0.115657 0.806391 O\n0.096134 0.614267 0.646816 O\n0.364579 0.345773 0.146825 O\n0.865995 0.440245 0.306387 O\n0.691971 0.210104 0.965962 O\n0.440589 0.865652 0.306390 O\n0.782402 0.800541 0.146822 O\n0.550898 0.032103 0.646823 O\n",
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{
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"created_at": "2022-09-04T14:38:14.355267Z",
"updated_at": "2022-09-04T14:38:14.355293Z",
"structure_string": "Mn4 Bi3 N1 O15\n1.0\n2.504919 -4.338649 0.000000\n2.504920 4.338648 -0.000000\n0.000000 0.000000 13.172030\nMn Bi N O\n4 3 1 15\ndirect\n0.666667 0.333333 0.219060 Mn\n0.333333 0.666667 0.218597 Mn\n0.333333 0.666667 0.846800 Mn\n0.666667 0.333333 0.846337 Mn\n0.000000 -0.000000 0.032698 Bi\n0.000000 -0.000000 0.389201 Bi\n0.000000 -0.000000 0.676191 Bi\n0.333333 0.666667 0.532680 N\n0.999698 0.375739 0.142062 O\n0.632960 0.633676 0.762936 O\n0.366343 0.367058 0.302462 O\n0.366324 0.999285 0.762936 O\n0.479741 0.520506 0.532680 O\n0.632942 0.999285 0.302462 O\n0.376041 0.000302 0.142062 O\n0.624229 0.000302 0.923339 O\n0.999698 0.623927 0.923339 O\n0.624261 0.623959 0.142062 O\n0.000716 0.633657 0.302462 O\n0.040764 0.520259 0.532680 O\n0.376074 0.375771 0.923339 O\n0.000715 0.367040 0.762936 O\n0.479494 0.959236 0.532680 O\n",
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],
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{
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"created_at": "2022-09-04T14:38:26.189979Z",
"updated_at": "2022-09-04T14:38:26.190005Z",
"structure_string": "Li2 V2 Cd2 F12\n1.0\n5.155126 0.000000 0.000000\n-2.577563 4.464470 0.000000\n-0.000000 -0.000000 9.622791\nLi V Cd F\n2 2 2 12\ndirect\n0.333334 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.666667 0.333333 0.750000 V\n0.333334 0.666667 0.250000 V\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.009513 0.648112 0.137545 F\n0.638600 0.648112 0.362455 F\n0.990489 0.351888 0.862455 F\n0.361401 0.351888 0.637545 F\n0.351889 0.361401 0.137545 F\n0.990489 0.638599 0.637545 F\n0.648113 0.638599 0.862455 F\n0.361401 0.009512 0.862455 F\n0.351889 0.990488 0.362455 F\n0.648112 0.009512 0.637545 F\n0.009513 0.361401 0.362455 F\n0.638601 0.990488 0.137545 F\n",
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{
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"created_at": "2022-09-04T14:38:08.609594Z",
"updated_at": "2022-09-04T14:38:08.609610Z",
"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.062212 0.002584\n5.613154 0.000000 0.000000\n0.000000 -5.057194 -6.232339\nLi Co Ge O\n2 2 2 8\ndirect\n0.747093 0.662771 0.751242 Li\n0.747092 0.337228 0.251242 Li\n0.992354 0.176765 0.997268 Co\n0.992353 0.823234 0.497268 Co\n0.500689 0.841695 0.000819 Ge\n0.500690 0.158305 0.500819 Ge\n0.832341 0.867215 0.980534 O\n0.383749 0.134837 0.021856 O\n0.139277 0.703658 0.761521 O\n0.659453 0.328279 0.736467 O\n0.383750 0.865163 0.521856 O\n0.832341 0.132784 0.480534 O\n0.139277 0.296341 0.261521 O\n0.659453 0.671720 0.236466 O\n",
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{
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"created_at": "2022-09-04T14:38:08.078851Z",
"updated_at": "2022-09-04T14:38:08.078885Z",
"structure_string": "Li6 V2 O4 F4\n1.0\n0.000000 4.952216 0.010990\n5.866739 0.000000 0.000000\n0.000000 -1.553776 -4.795347\nLi V O F\n6 2 4 4\ndirect\n0.250000 0.115864 0.500000 Li\n0.250000 0.640100 0.500000 Li\n0.250000 0.375582 0.000000 Li\n0.750000 0.359900 0.500000 Li\n0.750000 0.884136 0.500000 Li\n0.750001 0.624419 0.000000 Li\n0.250000 0.901569 0.000000 V\n0.750001 0.098431 0.000000 V\n0.002156 0.871183 0.237403 O\n0.497844 0.871183 0.762598 O\n0.502156 0.128818 0.237403 O\n0.997844 0.128818 0.762598 O\n0.005721 0.626737 0.753320 F\n0.505721 0.373263 0.753320 F\n0.494279 0.626737 0.246681 F\n0.994279 0.373263 0.246681 F\n",
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"formula_full": "Li6 V2 O4 F4",
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{
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"created_at": "2022-09-04T14:38:14.351878Z",
"updated_at": "2022-09-04T14:38:14.351890Z",
"structure_string": "Ba2 Nd4 Pd2 O10\n1.0\n6.788718 0.000000 -0.000000\n0.000000 6.788718 -0.000000\n-0.000000 -0.000000 5.953078\nBa Nd Pd O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.672711 0.172711 0.500000 Nd\n0.172711 0.327290 0.500000 Nd\n0.827290 0.672711 0.500000 Nd\n0.327290 0.827290 0.500000 Nd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.640704 0.859297 0.749363 O\n0.140703 0.640704 0.749363 O\n0.640704 0.859297 0.250637 O\n0.359297 0.140703 0.250637 O\n0.500000 0.500000 0.500000 O\n0.140703 0.640704 0.250637 O\n0.000000 0.000000 0.500000 O\n0.859297 0.359297 0.749363 O\n0.859297 0.359297 0.250637 O\n0.359297 0.140703 0.749363 O\n",
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{
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"created_at": "2022-09-04T14:38:15.098768Z",
"updated_at": "2022-09-04T14:38:15.098793Z",
"structure_string": "K2 Y1 Tl1 Br6\n1.0\n7.205003 -0.000000 4.159810\n2.401668 6.792942 4.159810\n-0.000000 -0.000000 8.319621\nK Y Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tl\n0.764559 0.235441 0.235441 Br\n0.235441 0.235441 0.764559 Br\n0.235441 0.764559 0.764559 Br\n0.235441 0.764559 0.235441 Br\n0.764559 0.235441 0.764559 Br\n0.764559 0.764559 0.235441 Br\n",
"nsites": 10,
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],
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"formula_full": "K2 Y1 Tl1 Br6",
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},
{
"id": "jvasp-109849",
"created_at": "2022-09-04T14:38:08.042222Z",
"updated_at": "2022-09-04T14:38:08.042243Z",
"structure_string": "K2 In1 Cu1 Br6\n1.0\n6.537161 -0.000000 3.774232\n2.179054 6.163295 3.774232\n-0.000000 -0.000000 7.548464\nK In Cu 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 In\n0.500000 0.500000 0.500000 Cu\n0.744502 0.255497 0.255497 Br\n0.255497 0.255497 0.744502 Br\n0.255497 0.744502 0.744502 Br\n0.255497 0.744502 0.255497 Br\n0.744502 0.255497 0.744502 Br\n0.744502 0.744502 0.255497 Br\n",
"nsites": 10,
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],
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"volume": 304.13102424266765,
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},
{
"id": "jvasp-86582",
"created_at": "2022-09-04T14:38:08.813427Z",
"updated_at": "2022-09-04T14:38:08.813453Z",
"structure_string": "Sr6 Cu3 Cl3 O6\n1.0\n4.016557 0.000000 -0.000000\n-2.008279 3.478441 0.000000\n-0.000000 -0.000000 27.634859\nSr Cu Cl O\n6 3 3 6\ndirect\n0.332767 0.999169 0.576609 Sr\n0.666402 0.667233 0.243276 Sr\n0.333598 0.000831 0.090058 Sr\n0.667234 0.666402 0.756724 Sr\n0.999169 0.332767 0.423391 Sr\n0.000831 0.333598 0.909942 Sr\n0.667279 0.667278 0.000000 Cu\n0.332722 -0.000000 0.333333 Cu\n-0.000000 0.332722 0.666667 Cu\n-0.000000 0.334094 0.166667 Cl\n0.665907 0.665906 0.500000 Cl\n0.334094 -0.000000 0.833333 Cl\n0.666930 0.667507 0.065817 O\n0.999423 0.332493 0.600849 O\n0.667507 0.666929 0.934183 O\n0.332493 0.999422 0.399151 O\n0.000578 0.333071 0.732484 O\n0.333071 0.000578 0.267516 O\n",
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}
]
}