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{
"id": "jvasp-9788",
"created_at": "2022-09-04T14:37:11.995578Z",
"updated_at": "2022-09-04T14:37:11.995612Z",
"structure_string": "Na4 Zn2 Si2 O8\n1.0\n0.000000 5.292087 0.001584\n5.503005 0.000000 0.000000\n0.000000 -5.262404 -7.025551\nNa Zn Si O\n4 2 2 8\ndirect\n0.734961 0.677022 0.747096 Na\n0.484291 0.817131 0.992086 Na\n0.734961 0.322979 0.247096 Na\n0.484291 0.182870 0.492086 Na\n0.998173 0.812818 0.497647 Zn\n0.998174 0.187183 0.997647 Zn\n0.249483 0.686564 0.245285 Si\n0.249483 0.313437 0.745285 Si\n0.308053 0.208086 0.940475 O\n0.308053 0.791915 0.440475 O\n0.973450 0.159693 0.551982 O\n0.973449 0.840307 0.051982 O\n0.584799 0.291474 0.770921 O\n0.142697 0.397188 0.219009 O\n0.142697 0.602813 0.719009 O\n0.584799 0.708527 0.270921 O\n",
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{
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"updated_at": "2022-09-04T14:37:09.202994Z",
"structure_string": "Rb4 V2 Ag2 Se8\n1.0\n5.819176 -0.000000 1.458017\n2.909588 6.848725 0.729008\n0.020318 0.000000 12.260542\nRb V Ag Se\n4 2 2 8\ndirect\n0.942878 0.750001 0.114245 Rb\n0.307123 0.750001 0.385756 Rb\n0.692878 0.250000 0.614244 Rb\n0.057123 0.250000 0.885755 Rb\n0.875001 0.250000 0.250000 V\n0.125000 0.750001 0.750000 V\n0.375000 0.250000 0.250000 Ag\n0.625001 0.750001 0.750000 Ag\n0.074983 0.547772 0.633879 Se\n0.756635 0.952229 0.866121 Se\n0.622755 0.452229 0.133880 Se\n0.708863 0.047771 0.366121 Se\n0.377246 0.547772 0.866120 Se\n0.291138 0.952229 0.633880 Se\n0.243366 0.047771 0.133880 Se\n0.925018 0.452229 0.366121 Se\n",
"nsites": 16,
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"volume": 488.427971482905,
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{
"id": "jvasp-17907",
"created_at": "2022-09-04T14:37:09.315263Z",
"updated_at": "2022-09-04T14:37:09.315283Z",
"structure_string": "Zn1 Cu2 Sn1 Se4\n1.0\n5.245259 -0.000000 -2.352133\n-1.054768 5.138113 -2.352133\n0.006806 0.008344 7.039708\nZn Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.500000 Cu\n0.750000 0.249999 0.500001 Cu\n0.500000 0.500000 0.000000 Sn\n0.625002 0.625000 0.730098 Se\n0.374998 0.894903 0.269902 Se\n0.894904 0.374998 0.269903 Se\n0.105097 0.105096 0.730098 Se\n",
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{
"id": "jvasp-33318",
"created_at": "2022-09-04T14:37:08.465482Z",
"updated_at": "2022-09-04T14:37:08.465508Z",
"structure_string": "H8 N2 Cl2 O4\n1.0\n6.346930 0.000000 0.000000\n0.000000 6.346930 0.000000\n0.000000 0.000000 3.699167\nH N Cl O\n8 2 2 4\ndirect\n0.370432 0.459678 0.336984 H\n0.129568 0.959678 0.663016 H\n0.629568 0.540322 0.336984 H\n0.870432 0.040322 0.663016 H\n0.540322 0.370432 0.663016 H\n0.959678 0.870432 0.336984 H\n0.459678 0.629568 0.663016 H\n0.040322 0.129568 0.336984 H\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.862348 Cl\n0.500000 0.000000 0.137652 Cl\n0.647028 0.147028 0.898206 O\n0.852972 0.647028 0.101795 O\n0.352972 0.852972 0.898206 O\n0.147028 0.352972 0.101795 O\n",
"nsites": 16,
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],
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"formula_full": "H8 N2 Cl2 O4",
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{
"id": "jvasp-11187",
"created_at": "2022-09-04T14:37:12.132641Z",
"updated_at": "2022-09-04T14:37:12.132672Z",
"structure_string": "Rb4 Li2 As2 O8\n1.0\n5.832300 0.000000 -0.000000\n-2.916150 5.862124 -0.000000\n0.000000 -0.000000 7.909902\nRb Li As O\n4 2 2 8\ndirect\n0.057660 0.115320 0.848446 Rb\n0.942339 0.884680 0.348446 Rb\n0.603508 0.207016 0.498117 Rb\n0.396492 0.792983 0.998117 Rb\n0.796641 0.593280 0.768818 Li\n0.203359 0.406719 0.268818 Li\n0.688936 0.377871 0.055814 As\n0.311064 0.622128 0.555814 As\n0.402332 0.284393 0.161666 O\n0.597667 0.715606 0.661666 O\n0.633273 0.266547 0.852873 O\n0.366727 0.733452 0.352873 O\n0.882060 0.284393 0.161666 O\n0.117940 0.715606 0.661666 O\n0.164843 0.329686 0.523500 O\n0.835157 0.670314 0.023500 O\n",
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"density_atomic": 0.05916352261488318,
"volume": 270.4369059318831,
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{
"id": "jvasp-10475",
"created_at": "2022-09-04T14:37:08.053580Z",
"updated_at": "2022-09-04T14:37:08.053600Z",
"structure_string": "K4 Nb2 Cu2 Se8\n1.0\n5.603387 0.000000 1.346528\n2.801693 6.717563 0.673265\n0.016425 -0.000000 12.263762\nK Nb Cu Se\n4 2 2 8\ndirect\n0.804821 0.750000 0.390357 K\n0.445179 0.750000 0.109643 K\n0.195180 0.250000 0.609643 K\n0.554822 0.250000 0.890357 K\n0.625001 0.750000 0.750000 Nb\n0.375000 0.250000 0.250000 Nb\n0.875001 0.250000 0.250000 Cu\n0.125001 0.750000 0.750000 Cu\n0.455343 0.460789 0.366604 Se\n0.178053 0.039211 0.366604 Se\n0.544658 0.539210 0.633395 Se\n0.217264 0.960789 0.866604 Se\n0.916133 0.539210 0.866604 Se\n0.821948 0.960789 0.633395 Se\n0.083868 0.460789 0.133395 Se\n0.782737 0.039211 0.133396 Se\n",
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"density_atomic": 0.034671585384487356,
"volume": 461.4729849405348,
"volume_molar": 17.36909545155788,
"formula_full": "K4 Nb2 Cu2 Se8",
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{
"id": "jvasp-11205",
"created_at": "2022-09-04T14:37:08.363479Z",
"updated_at": "2022-09-04T14:37:08.363499Z",
"structure_string": "K4 V2 Ag2 Se8\n1.0\n5.784994 0.000000 1.495648\n2.892497 6.628176 0.747824\n0.023245 0.000000 11.845759\nK V Ag Se\n4 2 2 8\ndirect\n0.942084 0.750001 0.115831 K\n0.307915 0.750001 0.384169 K\n0.057914 0.250000 0.884169 K\n0.692084 0.250000 0.615831 K\n0.124999 0.750000 0.750000 V\n0.874999 0.250000 0.250000 V\n0.624999 0.750000 0.750000 Ag\n0.375000 0.250000 0.250000 Ag\n0.248398 0.039816 0.129705 Se\n0.378102 0.539817 0.870295 Se\n0.621897 0.460184 0.129705 Se\n0.917918 0.460184 0.370295 Se\n0.711785 0.039816 0.370295 Se\n0.082080 0.539817 0.629705 Se\n0.751601 0.960184 0.870295 Se\n0.288214 0.960184 0.629705 Se\n",
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{
"id": "jvasp-100042",
"created_at": "2022-09-04T14:36:58.206371Z",
"updated_at": "2022-09-04T14:36:58.206396Z",
"structure_string": "Al1 In1 Ag2 Se4\n1.0\n5.511212 -0.007450 -4.615505\n-1.206030 5.377639 -4.615505\n0.005972 0.007450 7.188623\nAl In Ag Se\n1 1 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500000 Ag\n0.500000 0.500000 0.000001 Ag\n0.601834 0.636706 0.503163 Se\n0.133543 0.098671 0.496838 Se\n0.901329 0.398166 0.034873 Se\n0.363294 0.866457 0.965128 Se\n",
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{
"id": "jvasp-9784",
"created_at": "2022-09-04T14:37:12.190794Z",
"updated_at": "2022-09-04T14:37:12.190811Z",
"structure_string": "Cd4 Ga2 Ag2 S8\n1.0\n6.679733 0.000000 0.000000\n0.000000 6.961780 0.000000\n0.000000 0.000000 8.189083\nCd Ga Ag S\n4 2 2 8\ndirect\n0.486435 0.175441 0.252610 Cd\n0.986434 0.824559 0.752609 Cd\n0.486435 0.175441 0.747390 Cd\n0.986434 0.824559 0.247390 Cd\n0.491122 0.676937 0.500000 Ga\n0.991122 0.323063 0.000000 Ga\n0.989857 0.341004 0.500000 Ag\n0.489858 0.658996 0.000000 Ag\n0.107936 0.634532 0.000000 S\n0.607936 0.365468 0.500000 S\n0.146462 0.677704 0.500000 S\n0.646461 0.322296 0.000000 S\n0.603756 0.824708 0.265588 S\n0.103757 0.175292 0.765588 S\n0.103757 0.175292 0.234411 S\n0.603756 0.824708 0.734411 S\n",
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{
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"created_at": "2022-09-04T14:37:06.862267Z",
"updated_at": "2022-09-04T14:37:06.862294Z",
"structure_string": "K4 Ta2 Ag2 S8\n1.0\n5.741353 0.000000 1.503223\n2.870676 6.558094 0.751612\n0.027550 -0.000000 11.610542\nK Ta Ag S\n4 2 2 8\ndirect\n0.193412 0.250000 0.613175 K\n0.806588 0.750000 0.386825 K\n0.556588 0.250000 0.886825 K\n0.443413 0.750000 0.113175 K\n0.625000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ta\n0.125001 0.750000 0.750000 Ag\n0.875000 0.250000 0.250000 Ag\n0.883932 0.539689 0.869124 S\n0.792745 0.960310 0.630875 S\n0.576380 0.539689 0.630876 S\n0.246945 0.960310 0.869124 S\n0.116068 0.460311 0.130876 S\n0.753056 0.039689 0.130876 S\n0.423621 0.460311 0.369124 S\n0.207255 0.039689 0.369124 S\n",
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{
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"created_at": "2022-09-04T14:37:18.610476Z",
"updated_at": "2022-09-04T14:37:18.610500Z",
"structure_string": "Li4 Ni2 Sn2 O8\n1.0\n6.060154 -0.104947 -0.038320\n0.264113 6.055306 -0.038320\n-3.187312 -2.998870 4.379833\nLi Ni Sn O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.500000 -0.000000 -0.000000 Li\n0.499999 0.500000 -0.000000 Li\n-0.000000 0.500000 -0.000000 Ni\n0.500000 -0.000001 0.500000 Ni\n-0.000000 -0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.242902 0.757080 0.013046 O\n0.238737 0.240126 0.489443 O\n0.242919 0.757098 0.486954 O\n0.759872 0.761262 0.010557 O\n0.240126 0.238737 0.989443 O\n0.757079 0.242902 0.513045 O\n0.761261 0.759873 0.510556 O\n0.757097 0.242919 0.986954 O\n",
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"spacegroup": 74
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{
"id": "jvasp-10695",
"created_at": "2022-09-04T14:37:12.720696Z",
"updated_at": "2022-09-04T14:37:12.720718Z",
"structure_string": "Ba4 Li2 Re2 N8\n1.0\n0.000000 6.554247 -0.015595\n6.030661 0.000000 0.000000\n0.000000 -2.552557 -7.079889\nBa Li Re N\n4 2 2 8\ndirect\n0.265984 0.250000 0.945752 Ba\n0.734017 0.750000 0.054249 Ba\n0.812216 0.750000 0.579257 Ba\n0.187784 0.250000 0.420743 Ba\n0.348630 0.750000 0.634776 Li\n0.651370 0.250000 0.365225 Li\n0.706187 0.250000 0.785433 Re\n0.293813 0.750000 0.214567 Re\n0.471772 0.506671 0.266397 N\n0.528228 0.006671 0.733603 N\n0.528228 0.493329 0.733603 N\n0.471772 0.993329 0.266397 N\n0.119872 0.750000 0.367538 N\n0.880129 0.250000 0.632463 N\n0.127907 0.750000 0.964434 N\n0.872094 0.250000 0.035567 N\n",
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]
}