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{
"id": "jvasp-91451",
"created_at": "2022-09-04T14:36:15.366248Z",
"updated_at": "2022-09-04T14:36:15.366271Z",
"structure_string": "Mn2 Cd2 F10\n1.0\n5.157321 0.000178 -1.962779\n-2.165105 5.027115 -0.694730\n-0.023230 0.006829 7.757547\nMn Cd F\n2 2 10\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.705761 0.455741 0.249932 Cd\n0.294240 0.544261 0.750069 Cd\n0.333899 0.083418 0.249670 F\n0.666102 0.916583 0.750331 F\n0.569501 0.735723 0.377390 F\n0.859072 0.191822 0.123437 F\n0.752265 0.677218 0.025436 F\n0.152206 0.726596 0.474392 F\n0.247736 0.322783 0.974565 F\n0.847796 0.273405 0.525609 F\n0.140930 0.808180 0.876564 F\n0.430500 0.264278 0.622611 F\n",
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{
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"structure_string": "Ce6 Al4 I4\n1.0\n4.140610 0.000062 0.806313\n1.490585 9.289071 3.378778\n0.027669 0.065459 10.895128\nCe Al I\n6 4 4\ndirect\n0.191383 0.040342 0.573240 Ce\n0.464988 0.373576 0.692773 Ce\n0.246360 0.316643 0.187003 Ce\n0.747912 0.684624 0.815884 Ce\n0.529843 0.626972 0.309708 Ce\n0.803322 0.961339 0.428389 Ce\n0.924229 0.614992 0.532892 Al\n0.070974 0.387040 0.467362 Al\n0.657775 0.280960 0.399873 Al\n0.337425 0.720308 0.601167 Al\n0.861658 0.330998 0.942038 I\n0.581137 0.020719 0.813345 I\n0.132478 0.669525 0.061861 I\n0.413520 0.980310 0.189030 I\n",
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{
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"created_at": "2022-09-04T14:36:39.226868Z",
"updated_at": "2022-09-04T14:36:39.226888Z",
"structure_string": "K4 Yb4 O6\n1.0\n0.000000 6.508832 -0.077426\n6.821851 0.000000 0.000000\n0.000000 -2.907668 -5.874435\nYb K O\n4 4 6\ndirect\n0.330005 0.623862 0.560142 Yb\n0.669996 0.123862 0.939860 Yb\n0.330005 0.876138 0.060141 Yb\n0.669996 0.376138 0.439860 Yb\n0.191126 0.343816 0.922310 K\n0.191126 0.156184 0.422309 K\n0.808875 0.843816 0.577692 K\n0.808875 0.656184 0.077692 K\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.406853 0.899495 0.758285 O\n0.593147 0.399495 0.741717 O\n0.406853 0.600505 0.258284 O\n0.593147 0.100505 0.241717 O\n",
"nsites": 14,
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"density_atomic": 0.05335892179814408,
"volume": 262.37411717129083,
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{
"id": "jvasp-12562",
"created_at": "2022-09-04T14:36:44.401080Z",
"updated_at": "2022-09-04T14:36:44.401097Z",
"structure_string": "Be2 Al2 H10\n1.0\n0.000000 4.668372 0.095578\n4.317052 0.000000 0.000000\n0.000000 -0.191792 -6.248914\nBe Al H\n2 2 10\ndirect\n-0.002693 0.230334 0.381185 Be\n0.002694 0.730334 0.618814 Be\n0.244215 0.990123 0.001025 Al\n0.755785 0.490123 -0.001026 Al\n0.124943 0.466218 0.516543 H\n0.875057 -0.033781 0.483456 H\n0.748180 0.338969 0.255942 H\n0.251820 0.838968 0.744057 H\n0.237901 0.144290 0.256934 H\n0.762099 0.644290 0.743065 H\n0.056688 0.681564 0.088779 H\n0.943312 0.181564 0.911220 H\n0.552841 0.796501 0.080504 H\n0.447159 0.296501 0.919496 H\n",
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{
"id": "jvasp-58494",
"created_at": "2022-09-04T14:36:44.611093Z",
"updated_at": "2022-09-04T14:36:44.611114Z",
"structure_string": "Al2 Ni4 O8\n1.0\n5.020736 0.041333 2.830631\n1.672769 4.734062 2.830631\n0.057935 0.041333 5.763411\nAl Ni O\n2 4 8\ndirect\n0.625002 0.625001 0.625002 Al\n0.374998 0.374998 0.374998 Al\n0.000000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500001 -0.000000 -0.000000 Ni\n-0.000000 -0.000000 0.500000 Ni\n0.239864 0.753381 0.753383 O\n0.246616 0.246616 0.760136 O\n0.246617 0.760135 0.246617 O\n0.246601 0.246600 0.246601 O\n0.753383 0.753381 0.239864 O\n0.760137 0.246616 0.246616 O\n0.753383 0.239863 0.753382 O\n0.753400 0.753398 0.753399 O\n",
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{
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"created_at": "2022-09-04T14:36:39.788516Z",
"updated_at": "2022-09-04T14:36:39.788532Z",
"structure_string": "B4 Pd10\n1.0\n4.672687 0.000000 -1.810314\n-0.246056 5.473679 -0.635107\n0.004067 -0.000621 6.946099\nB Pd\n4 10\ndirect\n0.587947 0.421911 0.770825 B\n0.817123 0.078089 0.229176 B\n0.412053 0.578089 0.229176 B\n0.182877 0.921911 0.770824 B\n0.004396 0.420106 0.192060 Pd\n0.812338 0.079895 0.807941 Pd\n0.358108 0.685958 0.575586 Pd\n0.782522 0.814042 0.424414 Pd\n0.641892 0.314042 0.424415 Pd\n0.217479 0.185958 0.575586 Pd\n0.187663 0.920106 0.192060 Pd\n0.995605 0.579895 0.807941 Pd\n0.430611 0.250000 0.000000 Pd\n0.569389 0.750000 -0.000000 Pd\n",
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{
"id": "jvasp-43300",
"created_at": "2022-09-04T14:36:14.909834Z",
"updated_at": "2022-09-04T14:36:14.909858Z",
"structure_string": "Li2 Ti3 Fe1 O8\n1.0\n5.730276 -0.142466 -0.100739\n2.741758 5.033798 -0.100739\n2.741758 1.582956 4.779490\nLi Ti Fe O\n2 3 1 8\ndirect\n0.120506 0.120505 0.120505 Li\n0.879496 0.879495 0.879494 Li\n-0.000000 0.500001 0.500000 Ti\n0.500001 0.000000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.500001 0.500000 0.500000 Fe\n0.259037 0.259037 0.259037 O\n0.260101 0.260101 0.717150 O\n0.260101 0.717151 0.260101 O\n0.717151 0.260101 0.260101 O\n0.282850 0.739900 0.739899 O\n0.739900 0.282850 0.739899 O\n0.739900 0.739899 0.282849 O\n0.740964 0.740964 0.740963 O\n",
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{
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"created_at": "2022-09-04T14:36:31.509436Z",
"updated_at": "2022-09-04T14:36:31.509462Z",
"structure_string": "Li2 Co3 Sn1 O8\n1.0\n5.760652 -0.042448 -0.030016\n2.843564 5.010095 -0.030016\n2.843564 1.641733 4.733569\nLi Co Sn O\n2 3 1 8\ndirect\n0.120499 0.120499 0.120499 Li\n0.494700 0.494699 0.494699 Li\n0.012831 0.498183 0.498183 Co\n0.498184 0.498183 0.012830 Co\n0.498183 0.012830 0.498183 Co\n0.888263 0.888262 0.888262 Sn\n0.265086 0.265086 0.265086 O\n0.247259 0.712656 0.247258 O\n0.247259 0.247258 0.712657 O\n0.712657 0.247259 0.247258 O\n0.301303 0.736727 0.736728 O\n0.736728 0.736728 0.301302 O\n0.736728 0.301303 0.736728 O\n0.740319 0.740318 0.740318 O\n",
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{
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"updated_at": "2022-09-04T14:38:46.495104Z",
"structure_string": "Dy2 Mg2 V2 S8\n1.0\n6.612071 0.003176 3.884256\n2.208719 6.118776 3.804902\n0.019974 -0.000898 7.536276\nDy Mg V S\n2 2 2 8\ndirect\n0.500000 0.500001 0.499999 Dy\n-0.000000 0.499998 0.500002 Dy\n0.877977 0.872027 0.872019 Mg\n0.122023 0.127972 0.127982 Mg\n0.499999 0.500001 -0.000000 V\n0.500001 1.000001 0.500000 V\n0.712394 0.755149 0.755146 S\n0.266917 0.233333 0.732815 S\n0.266929 0.732812 0.233352 S\n0.722686 0.244865 0.244838 S\n0.733068 0.267188 0.766649 S\n0.277313 0.755137 0.755161 S\n0.287606 0.244850 0.244856 S\n0.733085 0.766667 0.267186 S\n",
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{
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"structure_string": "Sm4 Pb2 Se8\n1.0\n7.319603 -0.010931 -2.581177\n-3.669267 6.333497 -2.581177\n0.006310 0.010931 7.761381\nSm Pb Se\n4 2 8\ndirect\n0.117000 0.750000 0.867000 Sm\n0.250000 0.617000 0.367000 Sm\n0.383000 0.250000 0.632999 Sm\n0.750000 0.883000 0.132999 Sm\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.749999 Pb\n0.009776 0.858304 0.497508 Se\n0.141697 0.139205 0.151473 Se\n0.487732 0.990224 0.348527 Se\n0.358303 0.509776 0.997508 Se\n0.639205 0.641697 0.651472 Se\n0.490223 0.987733 0.848527 Se\n0.860795 0.512268 0.002491 Se\n0.012268 0.360795 0.502491 Se\n",
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"created_at": "2022-09-04T14:38:33.607638Z",
"updated_at": "2022-09-04T14:38:33.607662Z",
"structure_string": "Ca4 Fe2 Cl2 O6\n1.0\n3.796300 -0.000000 0.000000\n-0.000000 3.796300 0.000000\n-0.000000 0.000000 13.829199\nCa Fe Cl O\n4 2 2 6\ndirect\n0.000000 0.000000 0.661204 Ca\n0.000000 0.000000 0.906736 Ca\n0.500000 0.500000 0.093273 Ca\n0.500000 0.500000 0.338795 Ca\n0.000000 0.000000 0.208485 Fe\n0.500000 0.500000 0.791520 Fe\n0.000000 0.000000 0.422946 Cl\n0.500000 0.500000 0.577031 Cl\n0.500000 0.000000 0.229663 O\n0.500000 0.500000 0.931219 O\n0.000000 0.000000 0.068784 O\n0.500000 0.000000 0.770333 O\n0.000000 0.500000 0.229663 O\n0.000000 0.500000 0.770333 O\n",
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{
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"created_at": "2022-09-04T14:38:30.493022Z",
"updated_at": "2022-09-04T14:38:30.493039Z",
"structure_string": "Pr4 Pb2 Se8\n1.0\n7.415178 -0.002867 -2.619906\n-3.710073 6.420299 -2.619906\n0.001656 0.002867 7.864400\nPr Pb Se\n4 2 8\ndirect\n0.117052 0.750000 0.867051 Pr\n0.250001 0.617051 0.367051 Pr\n0.382950 0.250000 0.632949 Pr\n0.750001 0.882949 0.132948 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750000 Pb\n0.007168 0.855085 0.498563 Se\n0.008605 0.356521 0.501437 Se\n0.491396 0.992832 0.347916 Se\n0.144916 0.143479 0.152083 Se\n0.355085 0.507168 0.998563 Se\n0.643480 0.644916 0.652083 Se\n0.492834 0.991396 0.847916 Se\n0.856521 0.508604 0.001436 Se\n",
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]
}