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{
"id": "jvasp-34571",
"created_at": "2022-09-04T14:37:10.914131Z",
"updated_at": "2022-09-04T14:37:10.914153Z",
"structure_string": "Mn2 Al2 F10\n1.0\n3.617598 0.000000 0.000000\n-1.808799 4.974814 0.000000\n0.000000 -0.000000 9.584191\nMn Al F\n2 2 10\ndirect\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.794276 0.588551 0.250000 Al\n0.205724 0.411449 0.750000 Al\n0.305541 0.611082 0.250000 F\n0.694459 0.388918 0.750000 F\n0.072415 0.144830 0.615107 F\n0.927585 0.855169 0.384893 F\n0.330866 0.661733 0.884332 F\n0.669134 0.338266 0.115668 F\n0.669134 0.338266 0.384332 F\n0.330866 0.661733 0.615668 F\n0.072415 0.144830 0.884893 F\n0.927585 0.855169 0.115107 F\n",
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{
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"structure_string": "Ca2 Cr4 S8\n1.0\n6.586364 0.000000 -3.457926\n-1.815455 6.331219 -3.457926\n-0.299624 -0.397615 7.430839\nCa Cr S\n2 4 8\ndirect\n0.375001 0.625000 0.750000 Ca\n0.625000 0.375000 0.249999 Ca\n0.000000 -0.000000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.769276 0.806995 0.538552 S\n0.768443 0.230723 0.961446 S\n0.193006 0.230723 0.961447 S\n0.230724 0.193005 0.461447 S\n0.230725 0.768442 0.461447 S\n0.231558 0.769276 0.038553 S\n0.769276 0.231557 0.538552 S\n0.806995 0.769276 0.038552 S\n",
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{
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"updated_at": "2022-09-04T14:37:10.781246Z",
"structure_string": "Al2 V4 O8\n1.0\n5.084932 -0.000740 2.798657\n1.653873 4.808455 2.798657\n-0.001038 -0.000740 5.804224\nAl V O\n2 4 8\ndirect\n0.623597 0.623597 0.623599 Al\n0.376402 0.376402 0.376403 Al\n-0.000000 0.500000 0.000001 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n-0.000000 0.000000 0.500000 V\n0.252921 0.748269 0.748271 O\n0.251729 0.251730 0.747078 O\n0.251729 0.747077 0.251731 O\n0.248765 0.248765 0.248765 O\n0.748270 0.748269 0.252923 O\n0.747078 0.251730 0.251730 O\n0.748270 0.252922 0.748271 O\n0.751234 0.751234 0.751236 O\n",
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"density_atomic": 0.0986295240563341,
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{
"id": "jvasp-10884",
"created_at": "2022-09-04T14:37:10.720637Z",
"updated_at": "2022-09-04T14:37:10.720660Z",
"structure_string": "K2 Pr2 Ge2 Se8\n1.0\n0.000000 6.915940 -0.000301\n7.071308 0.000000 0.000000\n0.000000 -2.755940 -8.482077\nK Pr Ge Se\n2 2 2 8\ndirect\n0.254933 0.495468 0.062229 K\n0.745067 0.995469 0.937771 K\n0.230644 0.498494 0.554135 Pr\n0.769356 -0.001506 0.445866 Pr\n0.217628 0.968122 0.315143 Ge\n0.782372 0.468122 0.684857 Ge\n0.009018 0.243814 0.278971 Se\n0.965115 0.724395 0.264921 Se\n0.582323 0.462525 0.855304 Se\n0.417677 0.962525 0.144696 Se\n0.423678 0.910483 0.580654 Se\n0.576322 0.410483 0.419346 Se\n0.034885 0.224395 0.735079 Se\n0.990983 0.743814 0.721030 Se\n",
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"volume": 414.8196519510225,
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{
"id": "jvasp-9959",
"created_at": "2022-09-04T14:37:19.788803Z",
"updated_at": "2022-09-04T14:37:19.788813Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n2.905374 -0.000000 -0.000000\n-1.452687 4.815437 0.000000\n-0.000000 -0.000000 9.566404\nMg Mn O\n2 4 8\ndirect\n0.387902 0.775808 0.750000 Mg\n0.612095 0.224193 0.250000 Mg\n0.868647 0.737298 0.070261 Mn\n0.131351 0.262702 0.929738 Mn\n0.868647 0.737298 0.429738 Mn\n0.131351 0.262702 0.570261 Mn\n0.221446 0.442895 0.386166 O\n0.778552 0.557106 0.613834 O\n0.778552 0.557106 0.886166 O\n0.221446 0.442895 0.113834 O\n0.957908 0.915822 0.250000 O\n0.042089 0.084179 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
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{
"id": "jvasp-10182",
"created_at": "2022-09-04T14:37:19.570246Z",
"updated_at": "2022-09-04T14:37:19.570274Z",
"structure_string": "Mg2 In4 O8\n1.0\n5.525129 -0.000000 3.189934\n1.841710 5.209141 3.189934\n0.000000 -0.000000 6.379869\nMg In O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Mg\n0.875000 0.875000 0.874999 Mg\n0.500000 0.500000 -0.000001 In\n0.500000 0.500000 0.499999 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.744382 0.744382 0.744381 O\n0.255618 0.255618 0.733146 O\n0.255618 0.733147 0.255617 O\n0.733147 0.255618 0.255617 O\n0.744382 0.266853 0.744381 O\n0.266854 0.744382 0.744381 O\n0.255618 0.255618 0.255618 O\n0.744382 0.744382 0.266852 O\n",
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"volume": 183.62013257266926,
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-52147",
"created_at": "2022-09-04T14:37:19.565194Z",
"updated_at": "2022-09-04T14:37:19.565224Z",
"structure_string": "Mn3 Cu3 O8\n1.0\n5.933367 0.076619 0.054178\n3.033038 5.100136 0.054178\n3.033038 1.751125 4.790396\nMn Cu O\n3 3 8\ndirect\n0.125000 0.625000 0.625001 Mn\n0.625000 0.124999 0.625001 Mn\n0.625000 0.625000 0.125001 Mn\n0.000081 0.000081 0.000081 Cu\n0.249919 0.249919 0.249919 Cu\n0.625000 0.625000 0.625001 Cu\n0.387296 0.387295 0.387296 O\n0.377632 0.377631 0.834615 O\n0.377632 0.834614 0.377632 O\n0.834614 0.377631 0.377632 O\n0.415386 0.872368 0.872370 O\n0.872369 0.415385 0.872370 O\n0.872369 0.872369 0.415387 O\n0.862705 0.862704 0.862706 O\n",
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{
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"created_at": "2022-09-04T14:37:10.827428Z",
"updated_at": "2022-09-04T14:37:10.827449Z",
"structure_string": "K6 Ge2 S6\n1.0\n7.291231 0.010522 -1.931081\n-3.135178 6.582767 -1.931081\n0.006831 0.010836 8.169380\nK Ge S\n6 2 6\ndirect\n0.215771 0.215772 0.684239 K\n0.784228 0.784229 0.315761 K\n-0.000000 0.500000 0.000000 K\n0.500000 -0.000000 0.000000 K\n0.334556 0.665445 0.500000 K\n0.665444 0.334556 0.500000 K\n0.880324 0.880325 0.842963 Ge\n0.119675 0.119675 0.157037 Ge\n0.247597 0.948325 0.302645 S\n0.051676 0.752404 0.697356 S\n0.627888 0.627889 0.859659 S\n0.372112 0.372112 0.140341 S\n0.752403 0.051676 0.697356 S\n0.948324 0.247597 0.302644 S\n",
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{
"id": "jvasp-11601",
"created_at": "2022-09-04T14:37:19.563422Z",
"updated_at": "2022-09-04T14:37:19.563448Z",
"structure_string": "Al4 Co2 O8\n1.0\n5.765617 -0.000000 -0.000000\n2.882809 4.993172 0.000000\n2.882809 1.664390 4.707608\nAl Co O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n0.832033 0.389322 0.389323 O\n0.860678 0.860677 0.860678 O\n0.389323 0.832032 0.389323 O\n0.389323 0.389322 0.832033 O\n0.860678 0.860677 0.417968 O\n0.860678 0.417967 0.860678 O\n0.389323 0.389322 0.389323 O\n0.417968 0.860677 0.860678 O\n",
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"spacegroup": 227
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{
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"created_at": "2022-09-04T14:37:11.009758Z",
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"structure_string": "Mo2 H4 O8\n1.0\n3.701450 -0.019886 -0.144190\n1.453790 6.258307 -0.170138\n0.915361 2.694504 6.664478\nMo H O\n2 4 8\ndirect\n0.224155 0.154228 0.793258 Mo\n0.775845 0.845771 0.206742 Mo\n0.522149 0.766393 0.677876 H\n0.220541 0.669353 0.838658 H\n0.779459 0.330647 0.161342 H\n0.477851 0.233606 0.322124 H\n0.252635 0.247137 0.540018 O\n0.747365 0.752862 0.459982 O\n0.252938 0.935406 0.131372 O\n0.747062 0.064593 0.868628 O\n0.114965 0.402854 0.840723 O\n0.885035 0.597145 0.159277 O\n0.364199 0.791936 0.788736 O\n0.635801 0.208063 0.211264 O\n",
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{
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"created_at": "2022-09-04T14:37:11.018863Z",
"updated_at": "2022-09-04T14:37:11.018895Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n3.298145 0.038224 -0.049119\n1.732833 7.189923 0.006111\n1.517422 1.278555 9.097430\nCa Sn O\n2 4 8\ndirect\n0.627284 0.836801 0.809080 Ca\n0.370384 0.130133 0.212805 Ca\n0.347798 0.399835 0.870475 Sn\n0.005026 0.774817 0.448523 Sn\n-0.007373 0.192122 0.573363 Sn\n0.649881 0.567100 0.151412 Sn\n0.170134 0.445185 0.260903 O\n0.533559 0.155072 0.788955 O\n0.464108 0.811865 0.232929 O\n0.827543 0.521750 0.760982 O\n0.835403 0.314177 0.037538 O\n0.177950 0.893823 0.637294 O\n0.162282 0.652756 0.984348 O\n0.819715 0.073112 0.384593 O\n",
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{
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"created_at": "2022-09-04T14:37:11.045040Z",
"updated_at": "2022-09-04T14:37:11.045050Z",
"structure_string": "Li2 Cu4 O8\n1.0\n5.060110 0.000000 2.921456\n1.686703 4.770718 2.921456\n-0.000000 0.000000 5.842912\nLi Cu O\n2 4 8\ndirect\n0.125001 0.125000 0.125000 Li\n0.874999 0.874999 0.875002 Li\n0.499999 0.500001 0.500001 Cu\n0.500001 -0.000000 0.500000 Cu\n0.000001 0.500001 0.500000 Cu\n0.499999 0.500001 0.000001 Cu\n0.737768 0.737769 0.286695 O\n0.737768 0.737769 0.737770 O\n0.262232 0.262231 0.713305 O\n0.262232 0.713307 0.262232 O\n0.262232 0.262231 0.262232 O\n0.713306 0.262231 0.262232 O\n0.737769 0.286693 0.737770 O\n0.286694 0.737769 0.737770 O\n",
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]
}