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{
"id": "jvasp-120531",
"created_at": "2022-09-04T14:38:51.151627Z",
"updated_at": "2022-09-04T14:38:51.151646Z",
"structure_string": "Fe2 Cu10 Sb4 S13\n1.0\n8.453567 -0.013714 -2.996545\n-4.223451 7.322940 -2.996545\n0.007937 0.013714 8.968948\nFe Cu Sb S\n2 10 4 13\ndirect\n0.777124 0.777124 -0.000000 Fe\n0.222877 0.222877 -0.000000 Fe\n0.500000 0.748987 0.248986 Cu\n0.251014 0.500000 0.751013 Cu\n0.750001 0.250000 0.500000 Cu\n0.748987 0.500000 0.248986 Cu\n0.500000 0.251013 0.751013 Cu\n0.250000 0.750000 0.500000 Cu\n0.000000 0.776900 0.776900 Cu\n0.776901 0.000000 0.776901 Cu\n0.000000 0.223099 0.223099 Cu\n0.223100 0.000000 0.223099 Cu\n0.548365 0.995046 -0.000001 Sb\n0.995047 0.548365 -0.000000 Sb\n0.451636 0.451635 0.446681 Sb\n0.004954 0.004954 0.553319 Sb\n0.233259 0.750260 0.751555 S\n0.000000 0.000000 0.000000 S\n0.521766 0.521765 0.771732 S\n0.766742 0.518296 0.517001 S\n0.518297 0.766741 0.517001 S\n0.750034 0.750034 0.228268 S\n0.001294 0.249739 0.482999 S\n0.249739 0.001294 0.482999 S\n0.249966 0.478235 -0.000000 S\n0.998707 0.481704 0.248445 S\n0.750261 0.233259 0.751555 S\n0.478235 0.249966 -0.000000 S\n0.481704 0.998706 0.248445 S\n",
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{
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"created_at": "2022-09-04T14:38:51.139839Z",
"updated_at": "2022-09-04T14:38:51.139869Z",
"structure_string": "U3 Be1\n1.0\n2.907284 0.000000 0.000000\n0.000000 5.293263 0.000000\n0.000000 0.000000 4.818914\nU Be\n3 1\ndirect\n0.499999 0.308650 0.250000 U\n0.499999 0.679941 0.749999 U\n0.000000 0.845422 0.250000 U\n0.000000 0.165986 0.749999 Be\n",
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{
"id": "jvasp-118563",
"created_at": "2022-09-04T14:38:51.139151Z",
"updated_at": "2022-09-04T14:38:51.139181Z",
"structure_string": "Mg1 I1 O2\n1.0\n2.990538 0.000000 0.000000\n0.000000 2.990538 0.000000\n0.000000 0.000000 6.324211\nMg I O\n1 1 2\ndirect\n0.500000 0.500000 0.558342 Mg\n0.000000 0.000000 0.102902 I\n0.000000 0.000000 0.482309 O\n0.500000 0.500000 0.866447 O\n",
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{
"id": "jvasp-116642",
"created_at": "2022-09-04T14:38:51.138650Z",
"updated_at": "2022-09-04T14:38:51.138677Z",
"structure_string": "Ta3 V3 Si12\n1.0\n12.997086 -0.000000 0.000000\n-0.000000 4.092169 2.324545\n-0.000000 -0.000179 4.728557\nTa V Si\n3 3 12\ndirect\n0.082527 0.500000 0.500000 Ta\n0.585574 0.500000 0.500000 Ta\n0.248519 -0.000000 0.500000 Ta\n0.748927 -0.000000 0.500000 V\n0.418746 0.500000 -0.000001 V\n0.915726 0.500000 -0.000001 V\n0.753361 0.679290 0.152814 Si\n0.253493 0.675996 0.156344 Si\n0.584817 0.163925 0.162720 Si\n0.078231 0.165205 0.154875 Si\n0.912073 0.844020 0.325091 Si\n0.253493 0.324004 0.843656 Si\n0.753361 0.320710 0.847186 Si\n0.418018 0.157042 0.684349 Si\n0.584817 0.836074 0.837280 Si\n0.078231 0.834795 0.845124 Si\n0.418018 0.842957 0.315651 Si\n0.912073 0.155979 0.674909 Si\n",
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{
"id": "jvasp-119404",
"created_at": "2022-09-04T14:38:51.138185Z",
"updated_at": "2022-09-04T14:38:51.138210Z",
"structure_string": "La3 Ir9\n1.0\n5.212636 0.014130 7.887644\n2.381343 4.636915 7.887644\n0.023070 0.014130 9.454416\nLa Ir\n3 9\ndirect\n0.860482 0.860481 0.860482 La\n0.139519 0.139518 0.139519 La\n0.000000 0.000000 0.000000 La\n0.421138 0.916262 0.421138 Ir\n0.421138 0.421137 0.916264 Ir\n0.916264 0.421137 0.421137 Ir\n0.578863 0.083737 0.578862 Ir\n0.578863 0.578862 0.083736 Ir\n0.083737 0.578862 0.578863 Ir\n0.668148 0.668147 0.668148 Ir\n0.331852 0.331852 0.331852 Ir\n0.500000 0.500000 0.500000 Ir\n",
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{
"id": "jvasp-119112",
"created_at": "2022-09-04T14:38:51.135724Z",
"updated_at": "2022-09-04T14:38:51.135744Z",
"structure_string": "Ce4 Al18 Rh6\n1.0\n7.617279 -0.006283 0.000000\n-3.745064 6.633059 0.000000\n-0.000000 -0.000000 9.523514\nCe Al Rh\n4 18 6\ndirect\n0.996897 0.670960 0.250000 Ce\n0.003104 0.329041 0.750000 Ce\n0.670960 0.996897 0.250000 Ce\n0.329041 0.003104 0.750000 Ce\n0.451645 0.658727 0.750000 Al\n0.548356 0.341273 0.250000 Al\n0.658728 0.451645 0.750000 Al\n0.341273 0.548355 0.250000 Al\n0.870303 0.870303 0.750000 Al\n0.129698 0.129698 0.250000 Al\n0.334381 0.334381 0.947698 Al\n0.665620 0.665619 0.052301 Al\n0.665620 0.665619 0.447699 Al\n0.335515 0.002948 0.074762 Al\n0.664486 0.997053 0.925238 Al\n0.664486 0.997053 0.574761 Al\n0.002948 0.335515 0.425238 Al\n0.335515 0.002948 0.425238 Al\n0.997053 0.664486 0.574761 Al\n0.997053 0.664486 0.925238 Al\n0.002948 0.335515 0.074762 Al\n0.334381 0.334381 0.552301 Al\n0.000000 0.000000 0.000000 Rh\n0.671254 0.328747 -0.000000 Rh\n0.328747 0.671254 -0.000000 Rh\n0.328747 0.671254 0.500000 Rh\n0.671254 0.328747 0.500000 Rh\n0.000000 0.000000 0.500000 Rh\n",
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{
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"created_at": "2022-09-04T14:38:51.134824Z",
"updated_at": "2022-09-04T14:38:51.134842Z",
"structure_string": "Y1 Sn1 F3\n1.0\n4.654992 -0.000000 0.000000\n0.000000 4.654992 0.000000\n-0.000000 -0.000000 4.654992\nY Sn F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
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{
"id": "jvasp-119116",
"created_at": "2022-09-04T14:38:51.132722Z",
"updated_at": "2022-09-04T14:38:51.132748Z",
"structure_string": "Zr4 Cr6 Si2\n1.0\n4.968372 0.000000 0.000000\n-2.484187 4.302736 0.000000\n-0.000000 -0.000000 8.399532\nZr Cr Si\n4 6 2\ndirect\n0.333333 0.666667 0.435277 Zr\n0.666666 0.333334 0.564723 Zr\n0.666666 0.333334 0.935277 Zr\n0.333333 0.666667 0.064723 Zr\n0.827462 0.172538 0.250000 Cr\n0.827462 0.654925 0.250000 Cr\n0.345076 0.172538 0.250000 Cr\n0.172537 0.827463 0.750000 Cr\n0.172537 0.345076 0.750000 Cr\n0.654924 0.827463 0.750000 Cr\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:38:51.129525Z",
"updated_at": "2022-09-04T14:38:51.129550Z",
"structure_string": "Er10 Sb2 Au4\n1.0\n7.053818 0.007280 -4.820218\n-1.961317 6.775665 -4.820218\n-0.005465 -0.007280 8.543466\nEr Sb Au\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 -0.000000 Er\n0.010189 0.510189 0.807696 Er\n0.702493 0.202493 0.192304 Er\n0.510189 0.702493 0.499999 Er\n0.202493 0.010190 0.500000 Er\n0.989810 0.489810 0.192303 Er\n0.297506 0.797506 0.807696 Er\n0.489810 0.297506 0.500000 Er\n0.797506 0.989810 0.499999 Er\n0.750000 0.750000 -0.000001 Sb\n0.250000 0.250000 -0.000000 Sb\n0.639363 0.139363 0.778726 Au\n0.360636 0.860636 0.221273 Au\n0.139363 0.360636 0.500000 Au\n0.860636 0.639363 0.499999 Au\n",
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{
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"created_at": "2022-09-04T14:38:51.128501Z",
"updated_at": "2022-09-04T14:38:51.128530Z",
"structure_string": "B1 I3\n1.0\n6.928535 -0.000000 0.000000\n-3.464267 6.000287 -0.000000\n-0.000000 -0.000000 4.308024\nB I\n1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.308240 0.000000 0.000000 I\n0.999999 0.308241 0.000000 I\n0.691759 0.691760 0.000000 I\n",
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{
"id": "jvasp-119397",
"created_at": "2022-09-04T14:38:51.121881Z",
"updated_at": "2022-09-04T14:38:51.121916Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.149711 0.001980 0.089847\n2.450512 4.529182 -0.090201\n0.084727 -0.141665 10.405046\nLi Mn B O\n2 4 4 12\ndirect\n0.513683 0.545527 0.255792 Li\n0.454439 0.486345 0.755814 Li\n0.951774 0.714963 0.625534 Mn\n0.015749 0.317169 0.386456 Mn\n0.285048 0.048222 0.125531 Mn\n0.682829 0.984259 0.886460 Mn\n0.004435 0.361461 0.877227 B\n0.638535 0.995560 0.377221 B\n0.329060 0.036502 0.634659 B\n0.963506 0.670943 0.134658 B\n0.299942 0.791307 0.641093 O\n0.208709 0.700041 0.141080 O\n0.941355 0.438661 0.196091 O\n0.561338 0.058656 0.696093 O\n0.406293 0.973301 0.315801 O\n0.138127 0.281514 0.567311 O\n0.829282 0.750738 0.444725 O\n0.249260 0.170692 0.944724 O\n0.718484 0.861896 0.067321 O\n0.667773 0.240660 0.370575 O\n0.026698 0.593699 0.815808 O\n0.759323 0.332245 0.870590 O\n",
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],
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"volume": 242.505093774226,
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"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
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}
]
}