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{
"id": "jvasp-10757",
"created_at": "2022-09-04T14:37:14.820334Z",
"updated_at": "2022-09-04T14:37:14.820354Z",
"structure_string": "Al2 Co4 O8\n1.0\n5.067938 0.042061 2.857786\n1.688815 4.778458 2.857786\n0.058955 0.042061 5.817858\nAl Co O\n2 4 8\ndirect\n0.625001 0.625001 0.625002 Al\n0.374999 0.374999 0.374999 Al\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.247204 0.750935 0.750936 O\n0.249064 0.249064 0.752797 O\n0.249065 0.752796 0.249065 O\n0.249070 0.249070 0.249070 O\n0.750936 0.750935 0.247205 O\n0.752796 0.249064 0.249065 O\n0.750935 0.247204 0.750937 O\n0.750930 0.750930 0.750931 O\n",
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{
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"structure_string": "Li2 Ni2 P2 O8\n1.0\n2.798257 4.100936 0.000000\n-2.798257 4.100936 0.000000\n0.000000 0.000000 6.164035\nLi Ni P O\n2 2 2 8\ndirect\n0.500001 0.500001 0.000000 Li\n0.500001 0.500001 0.500000 Li\n0.183350 0.183350 0.250000 Ni\n0.816651 0.816651 0.750001 Ni\n0.139908 0.139908 0.750001 P\n0.860093 0.860093 0.250000 P\n0.243604 0.802159 0.750001 O\n0.197842 0.756397 0.250000 O\n0.251186 0.251186 0.548199 O\n0.748815 0.748815 0.048198 O\n0.251186 0.251186 0.951802 O\n0.748815 0.748815 0.451802 O\n0.756397 0.197842 0.250000 O\n0.802159 0.243604 0.750001 O\n",
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"formula_full": "Li2 Ni2 P2 O8",
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{
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"updated_at": "2022-09-04T14:37:27.862342Z",
"structure_string": "Mn4 Zn2 O8\n1.0\n5.983023 -0.016775 -0.011862\n2.976985 5.156288 -0.000000\n2.976985 1.718763 4.861394\nMn Zn O\n4 2 8\ndirect\n0.265186 0.244938 0.244938 Mn\n0.624665 0.127338 0.623998 Mn\n0.624664 0.623999 0.127338 Mn\n0.624664 0.623999 0.623998 Mn\n0.986307 0.004565 0.004565 Zn\n0.121749 0.626084 0.626083 Zn\n0.411684 0.377409 0.377408 O\n0.411684 0.377409 0.833497 O\n0.411684 0.833498 0.377408 O\n0.861647 0.379451 0.379451 O\n0.392145 0.869285 0.869284 O\n0.837969 0.415380 0.873325 O\n0.837969 0.873326 0.415379 O\n0.837969 0.873326 0.873325 O\n",
"nsites": 14,
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"density_atomic": 0.0931228203890275,
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{
"id": "jvasp-41730",
"created_at": "2022-09-04T14:37:27.771579Z",
"updated_at": "2022-09-04T14:37:27.771598Z",
"structure_string": "K2 Nd2 Ge2 S8\n1.0\n0.000000 6.629967 0.019602\n6.723758 0.000000 0.000000\n0.000000 -2.613391 -8.190989\nK Nd Ge S\n2 2 2 8\ndirect\n0.733211 0.990944 0.935352 K\n0.266790 0.490944 0.064648 K\n0.229615 0.503009 0.553394 Nd\n0.770386 0.003009 0.446606 Nd\n0.781214 0.473377 0.685025 Ge\n0.218786 0.973377 0.314976 Ge\n0.581998 0.469811 0.848172 S\n0.026584 0.232392 0.730751 S\n0.985979 0.744275 0.716297 S\n0.420476 0.919193 0.573663 S\n0.579525 0.419192 0.426338 S\n0.014022 0.244275 0.283703 S\n0.973416 0.732392 0.269250 S\n0.418003 0.969811 0.151828 S\n",
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"volume": 364.79587038192363,
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{
"id": "jvasp-10716",
"created_at": "2022-09-04T14:37:27.753406Z",
"updated_at": "2022-09-04T14:37:27.753427Z",
"structure_string": "Sc4 Cd2 S8\n1.0\n6.603794 -0.000000 3.812703\n2.201265 6.226117 3.812703\n-0.000000 0.000000 7.625405\nSc Cd S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.499999 0.500000 -0.000000 Sc\n0.499999 0.500000 0.500000 Sc\n0.874999 0.875000 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.739427 0.739428 0.739428 S\n0.260572 0.260572 0.718284 S\n0.260571 0.718284 0.260572 S\n0.718282 0.260572 0.260572 S\n0.739427 0.281717 0.739428 S\n0.281716 0.739428 0.739428 S\n0.260572 0.260572 0.260572 S\n0.739427 0.739428 0.281717 S\n",
"nsites": 14,
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{
"id": "jvasp-10164",
"created_at": "2022-09-04T14:37:14.758159Z",
"updated_at": "2022-09-04T14:37:14.758179Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n3.315330 -0.002165 -0.002015\n-1.653570 6.382929 -0.585428\n-1.653171 -2.005513 9.917621\nZn Sb O\n2 4 8\ndirect\n0.490340 0.733674 0.238913 Zn\n0.490076 0.233264 0.739201 Zn\n0.694619 0.302983 0.078060 Sb\n0.694061 0.802750 0.577713 Sb\n0.286331 0.164184 0.400400 Sb\n0.285839 0.663960 0.900053 Sb\n0.668072 0.562904 0.765453 O\n0.668525 0.063335 0.265671 O\n0.311901 0.903607 0.712444 O\n0.312406 0.404027 0.212659 O\n0.119394 0.340690 0.890190 O\n0.119546 0.840820 0.390240 O\n0.861145 0.626256 0.087931 O\n0.860860 0.126113 0.587870 O\n",
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"density": 6.0147397431415826,
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"volume": 205.91387648332852,
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"formula_full": "Zn2 Sb4 O8",
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{
"id": "jvasp-11606",
"created_at": "2022-09-04T14:37:14.769852Z",
"updated_at": "2022-09-04T14:37:14.769878Z",
"structure_string": "Al4 Ni2 O8\n1.0\n5.754153 0.001938 0.006516\n-2.875470 -4.983650 0.059828\n-2.872240 1.599837 -4.722386\nAl Ni O\n4 2 8\ndirect\n0.499997 -0.000003 -0.000003 Al\n0.499999 0.499999 -0.000003 Al\n-0.000005 0.499996 0.499997 Al\n0.000001 0.500000 0.000002 Al\n0.749982 0.875003 0.624960 Ni\n0.250025 0.125005 0.375049 Ni\n0.028497 0.735775 0.764227 O\n0.971503 0.264224 0.235776 O\n0.028502 0.292729 0.764274 O\n0.971494 0.707265 0.235727 O\n0.471481 0.735722 0.207242 O\n0.471501 0.735770 0.764221 O\n0.528496 0.264229 0.235778 O\n0.528518 0.264280 0.792753 O\n",
"nsites": 14,
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{
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"updated_at": "2022-09-04T14:37:14.778005Z",
"structure_string": "Al5 Cu1 S8\n1.0\n7.079127 0.000000 0.000000\n3.539564 6.130704 0.000000\n3.539564 2.043568 5.780083\nAl Cu S\n5 1 8\ndirect\n0.019659 0.493447 0.493447 Al\n0.493447 0.493447 0.019660 Al\n0.493447 0.019660 0.493447 Al\n0.493447 0.493447 0.493447 Al\n0.875000 0.875000 0.875000 Al\n0.125000 0.125000 0.125000 Cu\n0.256929 0.256929 0.256929 S\n0.256929 0.729213 0.256929 S\n0.256928 0.256929 0.729212 S\n0.729213 0.256929 0.256929 S\n0.274885 0.741705 0.741704 S\n0.741705 0.741705 0.274885 S\n0.741705 0.274886 0.741704 S\n0.741705 0.741705 0.741704 S\n",
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{
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"created_at": "2022-09-04T14:37:27.678758Z",
"updated_at": "2022-09-04T14:37:27.678782Z",
"structure_string": "H4 S2 O8\n1.0\n3.765948 2.282686 -1.735845\n-3.765948 2.282686 1.735845\n-0.422623 0.000000 8.988499\nH S O\n4 2 8\ndirect\n0.500002 0.245622 0.136449 H\n0.245622 0.500002 0.363551 H\n0.363845 0.882143 0.863508 H\n0.882143 0.363844 0.636492 H\n0.852884 0.852883 0.750000 S\n0.102512 0.102512 0.250000 S\n0.602860 0.777168 0.829440 O\n0.777169 0.602860 0.670561 O\n0.307363 0.304762 0.113355 O\n0.304762 0.307362 0.386645 O\n0.194428 0.918429 0.886580 O\n0.918430 0.194427 0.613421 O\n0.773066 0.106273 0.170659 O\n0.106273 0.773065 0.329341 O\n",
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{
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"created_at": "2022-09-04T14:37:14.879389Z",
"updated_at": "2022-09-04T14:37:14.879414Z",
"structure_string": "Cd2 Ga4 O8\n1.0\n5.335623 -0.000000 3.080523\n1.778541 5.030473 3.080523\n-0.000000 -0.000000 6.161046\nCd Ga O\n2 4 8\ndirect\n0.875000 0.874999 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.500000 0.000000 0.500000 Ga\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.732037 0.732037 0.732038 O\n0.267962 0.267962 0.696114 O\n0.267962 0.696113 0.267962 O\n0.696113 0.267962 0.267962 O\n0.732037 0.303886 0.732038 O\n0.303886 0.732037 0.732038 O\n0.267962 0.267962 0.267963 O\n0.732037 0.732037 0.303886 O\n",
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{
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"updated_at": "2022-09-04T14:37:27.648420Z",
"structure_string": "Sm2 Dy4 S8\n1.0\n7.285905 0.108107 -0.187247\n-2.326711 6.905253 0.187247\n-2.632484 -3.398573 5.886501\nSm Dy S\n2 4 8\ndirect\n0.125001 0.750000 0.875000 Sm\n0.375000 0.250000 0.625000 Sm\n0.250000 0.662898 0.412898 Dy\n0.750000 0.837102 0.087102 Dy\n0.587102 0.337102 0.250000 Dy\n0.912898 0.162898 0.749999 Dy\n0.992572 0.864037 0.499704 S\n-0.000295 0.364037 0.492573 S\n0.128536 0.135963 0.135668 S\n0.371464 0.507132 0.007427 S\n0.635668 0.635963 0.628536 S\n0.507427 0.007132 0.871464 S\n0.500296 0.992868 0.364332 S\n0.864332 0.492868 0.000295 S\n",
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{
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"created_at": "2022-09-04T14:37:27.894045Z",
"updated_at": "2022-09-04T14:37:27.894067Z",
"structure_string": "Mg2 Sb4 O8\n1.0\n6.540416 0.178968 0.291122\n3.425200 5.574682 0.291122\n3.559572 2.055120 5.812757\nMg Sb O\n2 4 8\ndirect\n0.125000 0.625000 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.976418 0.976417 0.023582 Sb\n0.273583 0.273583 0.226417 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.379060 0.379060 0.421649 O\n0.369244 0.874105 0.378325 O\n0.379060 0.379060 0.820233 O\n0.874106 0.369244 0.378325 O\n0.375895 0.880756 0.871675 O\n0.880757 0.375895 0.871675 O\n0.870940 0.870940 0.429767 O\n0.870940 0.870940 0.828350 O\n",
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}
]
}