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{
"id": "mp-773053",
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"structure_string": "Mg1 Cr3 Se3 S3 O24\n1.0\n8.463736 0.000000 0.000000\n-4.201685 7.350945 0.000000\n-4.126285 -2.406675 7.584583\nMg Cr Se S O\n1 3 3 3 24\ndirect\n0.710165 0.868440 0.563135 Mg\n0.303774 0.146407 0.450637 Cr\n0.703294 0.346590 0.068124 Cr\n0.292648 0.647845 0.930163 Cr\n0.790141 0.744590 0.255125 Se\n0.788836 0.536437 0.750231 Se\n0.205985 0.461924 0.252733 Se\n0.492549 0.963423 0.748494 S\n0.499366 0.037848 0.248999 S\n0.223465 0.259156 0.749819 S\n0.987926 0.973415 0.299834 O\n0.730830 0.710421 0.407790 O\n0.709638 0.681423 0.711662 O\n0.319054 0.980705 0.605291 O\n0.371999 0.886068 0.080515 O\n0.868065 0.602280 0.240110 O\n0.649637 0.991979 0.706509 O\n0.020106 0.626762 0.760239 O\n0.829774 0.509456 0.945966 O\n0.415975 0.306474 0.919049 O\n0.379627 0.770149 0.764080 O\n0.618969 0.319881 0.593733 O\n0.368317 0.669791 0.404338 O\n0.592370 0.227492 0.220620 O\n0.587406 0.701483 0.057623 O\n0.177791 0.473275 0.056160 O\n0.963936 0.346287 0.227835 O\n0.340845 0.012868 0.297506 O\n0.168914 0.397711 0.763243 O\n0.601041 0.105003 0.917086 O\n0.669379 0.026372 0.388680 O\n0.294592 0.316109 0.302229 O\n0.280161 0.286748 0.609317 O\n0.043429 0.065191 0.703133 O\n",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.958541 0.000000 0.000000\n-0.410542 10.089673 0.000000\n-0.214714 -3.159010 9.678347\nLi Mn Co O\n9 2 5 16\ndirect\n0.993230 0.251245 0.247994 Li\n0.515608 0.495439 0.750259 Li\n0.012045 0.741013 0.243529 Li\n0.505516 0.501446 0.242009 Li\n0.000901 0.750346 0.750145 Li\n0.483161 0.005235 0.258134 Li\n0.496154 0.000511 0.747437 Li\n0.994801 0.248813 0.753592 Li\n0.987565 0.504568 0.009863 Li\n0.004688 0.001677 0.996982 Mn\n0.507809 0.742198 0.000900 Mn\n0.504479 0.252508 0.497271 Co\n0.498491 0.748720 0.502650 Co\n0.005423 0.499355 0.503546 Co\n0.992742 0.000787 0.496724 Co\n0.489122 0.261342 0.998791 Co\n0.470649 0.129680 0.110554 O\n0.014573 0.375192 0.616380 O\n0.496943 0.636791 0.119309 O\n0.963599 0.363923 0.115123 O\n0.468608 0.618328 0.616393 O\n0.027338 0.865947 0.105930 O\n0.988534 0.869043 0.614476 O\n0.481020 0.122682 0.611321 O\n0.541491 0.377859 0.387694 O\n0.986545 0.639156 0.891515 O\n0.506245 0.881634 0.386522 O\n0.008457 0.624953 0.390457 O\n0.539530 0.873116 0.884701 O\n0.988057 0.130098 0.380222 O\n0.023991 0.127482 0.884443 O\n0.502682 0.358912 0.885134 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"created_at": "2022-09-04T14:43:33.919223Z",
"structure_string": "Na1 Li1 V4 O12\n1.0\n3.741850 -3.738744 0.000000\n3.741850 3.738744 0.000000\n0.000000 0.000000 7.485600\nNa Li V O\n1 1 4 12\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Li\n0.000000 0.500000 0.249489 V\n0.000000 0.500000 0.750511 V\n0.500000 0.000000 0.249489 V\n0.500000 0.000000 0.750511 V\n0.240255 0.240255 0.249858 O\n0.240255 0.240255 0.750142 O\n0.759745 0.759745 0.249858 O\n0.759745 0.759745 0.750142 O\n0.739281 0.260719 0.248947 O\n0.739281 0.260719 0.751053 O\n0.260719 0.739281 0.248947 O\n0.260719 0.739281 0.751053 O\n0.000000 0.500000 -0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.3749969997791323,
"density_atomic": 0.08594167028702755,
"volume": 209.4443817519917,
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"formula_full": "Na1 Li1 V4 O12",
"formula_reduced": "NaLiV4O12",
"formula_anonymous": "ABC4D12",
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"updated_at": "2021-11-28T01:36:22.079000Z",
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{
"id": "mp-1522852",
"created_at": "2022-09-04T14:43:22.810777Z",
"structure_string": "Sr1 Sm1 Mn4 O12\n1.0\n5.362921 0.000000 -0.000000\n0.000000 5.362921 0.000000\n0.000000 -0.000000 7.584134\nSr Sm Mn O\n1 1 4 12\ndirect\n0.000000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sm\n-0.000000 0.500000 0.748094 Mn\n0.000000 0.500000 0.251906 Mn\n0.500000 0.000000 0.748094 Mn\n0.500000 -0.000000 0.251906 Mn\n0.258175 0.258175 0.762067 O\n0.258175 0.258175 0.237933 O\n0.741825 0.741825 0.762067 O\n0.741825 0.741825 0.237933 O\n0.741825 0.258175 0.762067 O\n0.741825 0.258175 0.237933 O\n0.258175 0.741825 0.762067 O\n0.258175 0.741825 0.237933 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n",
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"elements": [
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"density": 4.9461794089954605,
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"volume": 218.12668377409716,
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"formula_full": "Sr1 Sm1 Mn4 O12",
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"formula_anonymous": "ABC4D12",
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{
"id": "mp-1188440",
"created_at": "2022-09-04T14:43:33.940020Z",
"structure_string": "Li2 Mn2 V2 F12\n1.0\n4.825961 0.000000 0.000000\n0.000000 4.825961 0.000000\n0.000000 0.000000 9.554414\nLi Mn V F\n2 2 2 12\ndirect\n0.500000 0.500000 0.833741 Li\n0.000000 0.000000 0.333741 Li\n0.500000 0.500000 0.500700 Mn\n0.000000 0.000000 0.000700 Mn\n0.500000 0.500000 0.165978 V\n0.000000 0.000000 0.665978 V\n0.189558 0.810442 0.507670 F\n0.810442 0.189558 0.507670 F\n0.689558 0.689558 0.007670 F\n0.310442 0.310442 0.007670 F\n0.193650 0.806350 0.821783 F\n0.806350 0.193650 0.821783 F\n0.693650 0.693650 0.321783 F\n0.306350 0.306350 0.321783 F\n0.789245 0.210755 0.168388 F\n0.210755 0.789245 0.168388 F\n0.289245 0.289245 0.668388 F\n0.710755 0.710755 0.668388 F\n",
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"formula_full": "Li2 Mn2 V2 F12",
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{
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"created_at": "2022-09-04T14:43:49.370399Z",
"structure_string": "Th1 U1 S2\n1.0\n3.965967 0.000000 0.000000\n0.000000 3.965967 0.000000\n0.000000 0.000000 5.615632\nTh U S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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"formula_full": "Th1 U1 S2",
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{
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"created_at": "2022-09-04T14:43:33.948321Z",
"structure_string": "Sr2 Co2 O5\n1.0\n5.616147 0.000000 0.000000\n-0.154730 5.642840 0.000000\n-2.769038 -2.712984 4.130736\nSr Co O\n2 2 5\ndirect\n0.347000 0.891144 0.610062 Sr\n0.838641 0.391059 0.609354 Sr\n0.098051 0.089128 0.070970 Co\n0.629010 0.688528 0.162049 Co\n0.348218 0.416940 0.247187 O\n0.833677 0.891631 0.616042 O\n0.691064 0.379000 0.953107 O\n0.309926 0.809903 0.008493 O\n0.921711 0.994327 0.231722 O\n",
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{
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"structure_string": "Ba2 Nd4 Mn2 S10\n1.0\n-3.961949 3.961949 6.878393\n3.961949 -3.961949 6.878393\n3.961949 3.961949 -6.878393\nBa Nd Mn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.000000 Ba\n0.750000 0.750000 0.000000 Ba\n0.338114 0.161886 0.500000 Nd\n0.161886 0.661886 0.823772 Nd\n0.838114 0.338114 0.176228 Nd\n0.661886 0.838114 0.500000 Nd\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.483054 0.983054 0.199808 S\n0.216754 0.716754 0.199808 S\n0.516946 0.016946 0.800192 S\n0.016946 0.216754 0.500000 S\n0.716754 0.516946 0.500000 S\n0.983054 0.783246 0.500000 S\n0.283246 0.483054 0.500000 S\n0.783246 0.283246 0.800192 S\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n",
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{
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"created_at": "2022-09-04T14:43:34.016059Z",
"structure_string": "Li4 Ti6 V6 O24\n1.0\n3.614002 2.606324 5.132237\n-7.030447 5.705982 0.084207\n-3.633220 -7.256438 2.481294\nLi Ti V O\n4 6 6 24\ndirect\n0.250003 0.750003 0.500010 Li\n0.750000 0.250003 0.499995 Li\n0.000001 0.999996 0.999989 Li\n0.500014 0.500003 0.000008 Li\n0.500026 0.500015 0.500016 Ti\n0.999997 0.999991 0.499993 Ti\n0.327436 0.007673 0.837672 Ti\n0.827475 0.507708 0.837706 Ti\n0.172488 0.492258 0.162316 Ti\n0.672505 0.992288 0.162321 Ti\n0.250000 0.750043 0.000016 V\n0.911433 0.747197 0.666295 V\n0.588669 0.752811 0.333731 V\n0.749992 0.250004 0.999965 V\n0.411334 0.247222 0.666300 V\n0.088630 0.252780 0.333706 V\n0.433856 0.233642 0.906674 O\n0.933822 0.733650 0.906663 O\n0.066182 0.266338 0.093313 O\n0.566146 0.766358 0.093355 O\n0.022358 0.989452 0.743570 O\n0.522354 0.489464 0.743569 O\n0.477630 0.510565 0.256424 O\n0.977647 0.010536 0.256420 O\n0.307011 0.002879 0.600231 O\n0.807009 0.502863 0.600234 O\n0.192986 0.497131 0.399758 O\n0.692986 0.997138 0.399760 O\n0.656821 0.017924 0.935615 O\n0.156794 0.517945 0.935638 O\n0.843211 0.482038 0.064356 O\n0.343202 0.982058 0.064377 O\n0.912350 0.771874 0.438086 O\n0.412348 0.271873 0.438093 O\n0.587656 0.728132 0.561901 O\n0.087641 0.228133 0.561897 O\n0.237158 0.767864 0.774953 O\n0.737120 0.267842 0.774901 O\n0.262819 0.732166 0.225109 O\n0.762889 0.232141 0.225064 O\n",
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{
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"structure_string": "Eu2 Zn1 In1\n1.0\n0.000000 3.891599 3.891599\n3.891599 0.000000 3.891599\n3.891599 3.891599 0.000000\nEu Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
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{
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"structure_string": "Li2 Mn4 P6 O24\n1.0\n8.183685 0.000000 0.000000\n4.090491 7.174803 0.000000\n4.079635 2.406675 7.371635\nLi Mn P O\n2 4 6 24\ndirect\n0.248012 0.928374 0.132541 Li\n0.751988 0.071626 0.867459 Li\n0.650915 0.645899 0.051686 Mn\n0.142325 0.147151 0.570158 Mn\n0.857675 0.852849 0.429842 Mn\n0.349085 0.354101 0.948314 Mn\n0.466624 0.034186 0.749188 P\n0.748380 0.469459 0.750869 P\n0.036939 0.748760 0.748265 P\n0.963061 0.251240 0.251735 P\n0.533376 0.965814 0.250812 P\n0.251620 0.530541 0.249131 P\n0.113229 0.740704 0.262082 O\n0.829661 0.789842 0.898296 O\n0.465845 0.840007 0.913963 O\n0.499374 0.174895 0.794481 O\n0.213667 0.514740 0.099584 O\n0.170339 0.210158 0.101704 O\n0.534155 0.159993 0.086037 O\n0.500626 0.825105 0.205519 O\n0.741452 0.878256 0.267820 O\n0.373837 0.000135 0.427124 O\n0.786333 0.485260 0.900416 O\n0.465781 0.509051 0.204168 O\n0.821332 0.463425 0.202654 O\n0.016713 0.795721 0.564495 O\n0.106538 0.899504 0.735382 O\n0.802843 0.618485 0.565017 O\n0.258548 0.121744 0.732180 O\n0.893462 0.100496 0.264618 O\n0.983287 0.204279 0.435505 O\n0.178668 0.536575 0.797346 O\n0.534219 0.490949 0.795832 O\n0.886771 0.259296 0.737918 O\n0.626163 0.999865 0.572876 O\n0.197157 0.381515 0.434983 O\n",
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"updated_at": "2021-11-28T01:36:16.664000Z",
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},
{
"id": "mp-1222494",
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],
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"formula_full": "Mo12 S72 N12",
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}
]
}