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{
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{
"id": "jvasp-53393",
"created_at": "2022-09-04T14:38:11.113933Z",
"updated_at": "2022-09-04T14:38:11.113957Z",
"structure_string": "Na12 N4 O8\n1.0\n6.455452 -0.000000 0.000000\n0.000000 6.455452 0.000000\n0.000000 0.000000 9.211634\nNa N O\n12 4 8\ndirect\n0.000000 0.500000 0.000000 Na\n0.762869 0.237131 0.747671 Na\n0.737131 0.737131 0.752329 Na\n0.262869 0.262869 0.752329 Na\n0.237131 0.762869 0.747671 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.762869 0.237131 0.252329 Na\n0.737131 0.737131 0.247671 Na\n0.262869 0.262869 0.247671 Na\n0.237131 0.762869 0.252329 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.882735 N\n0.500000 0.500000 0.617264 N\n0.500000 0.500000 0.382735 N\n0.000000 0.000000 0.117264 N\n0.500000 0.000000 0.750000 O\n0.117271 0.117271 0.000000 O\n0.500000 0.000000 0.250000 O\n0.000000 0.500000 0.250000 O\n0.382729 0.617271 0.500000 O\n0.617271 0.382729 0.500000 O\n0.000000 0.500000 0.750000 O\n0.882728 0.882728 0.000000 O\n",
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{
"id": "jvasp-11668",
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"updated_at": "2022-09-04T14:38:11.113347Z",
"structure_string": "Cr4 Si2 O8\n1.0\n5.607191 -0.209826 -1.287309\n-3.176080 4.625703 -1.287309\n0.020034 0.036390 6.303406\nCr Si O\n4 2 8\ndirect\n0.777931 0.222067 0.750000 Cr\n0.472067 0.527931 0.750000 Cr\n0.222068 0.777931 0.250000 Cr\n0.527931 0.472068 0.250000 Cr\n0.124999 0.874999 0.750000 Si\n0.874999 0.124999 0.250000 Si\n0.269296 0.223854 0.903846 O\n0.320008 0.865451 0.596154 O\n0.776145 0.730701 0.596154 O\n0.134547 0.679991 0.903845 O\n0.730702 0.776145 0.096154 O\n0.679990 0.134547 0.403845 O\n0.865451 0.320008 0.096154 O\n0.223853 0.269297 0.403845 O\n",
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{
"id": "jvasp-88148",
"created_at": "2022-09-04T14:38:11.107346Z",
"updated_at": "2022-09-04T14:38:11.107376Z",
"structure_string": "Sr4 U2 Mn2 O12\n1.0\n5.903257 0.000000 0.000000\n0.000000 5.850793 -0.004684\n0.000000 0.011784 8.169107\nSr U Mn O\n4 2 2 12\ndirect\n0.536613 0.506136 0.249230 Sr\n0.963388 0.006136 0.749230 Sr\n0.463388 0.493863 0.750770 Sr\n0.036612 0.993863 0.250771 Sr\n0.000000 0.499999 0.500000 U\n0.500000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.979644 0.423045 0.245418 O\n0.708517 0.287452 0.960544 O\n0.791483 0.787452 0.460544 O\n0.213347 0.209072 0.958818 O\n0.713347 0.290927 0.541183 O\n0.291483 0.712547 0.039457 O\n0.520357 0.923045 0.745419 O\n0.020357 0.576954 0.754583 O\n0.786654 0.790927 0.041183 O\n0.208517 0.212547 0.539457 O\n0.286653 0.709072 0.458818 O\n0.479644 0.076954 0.254582 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Mn-O-Sr-U",
"density": 6.640996440934959,
"density_atomic": 0.07088404387065385,
"volume": 282.15094551455246,
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"formula_full": "Sr4 U2 Mn2 O12",
"formula_reduced": "Sr2UMnO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
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{
"id": "jvasp-44389",
"created_at": "2022-09-04T14:38:11.105912Z",
"updated_at": "2022-09-04T14:38:11.105937Z",
"structure_string": "Mn2 Fe3 Co3 O16\n1.0\n5.579642 -0.000484 0.001238\n-2.789367 4.859806 0.084478\n-0.002102 -0.153420 8.611279\nMn Fe Co O\n2 3 3 16\ndirect\n0.663880 0.327780 0.486887 Mn\n0.331811 0.663639 0.991007 Mn\n0.834254 0.668522 0.210402 Fe\n0.168510 0.832954 0.712284 Fe\n0.664424 0.832953 0.712287 Fe\n0.336293 0.169789 0.208614 Co\n0.833480 0.169790 0.208616 Co\n0.167042 0.334100 0.708842 Co\n0.166107 0.828067 0.101090 O\n0.334367 0.668752 0.600030 O\n0.480357 0.520035 0.838587 O\n0.039666 0.520040 0.838584 O\n0.833864 0.667751 0.598936 O\n0.166820 0.333665 0.100197 O\n0.959113 0.480262 0.340036 O\n-0.000523 -0.001039 0.317540 O\n0.832143 0.164515 0.600419 O\n-0.000549 -0.001083 0.820327 O\n0.482458 0.964937 0.842350 O\n0.670057 0.340139 0.099645 O\n0.520792 0.041593 0.337509 O\n0.332356 0.164517 0.600416 O\n0.521135 0.480266 0.340029 O\n0.661943 0.828071 0.101091 O\n",
"nsites": 24,
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],
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"volume": 233.5644814994479,
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"formula_full": "Mn2 Fe3 Co3 O16",
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"formula_anonymous": "A2B3C3D16",
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{
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"created_at": "2022-09-04T14:38:11.102893Z",
"updated_at": "2022-09-04T14:38:11.102921Z",
"structure_string": "Nd2 Lu2 Se6\n1.0\n4.014878 0.000000 -0.000000\n-2.007440 6.525063 -0.000000\n-0.000000 -0.000000 9.922466\nNd Lu Se\n2 2 6\ndirect\n0.747950 0.495899 0.750000 Nd\n0.252050 0.504101 0.250000 Nd\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.914944 0.829888 0.250000 Se\n0.085056 0.170111 0.750000 Se\n0.356778 0.713556 0.562037 Se\n0.643222 0.286443 0.437964 Se\n0.356778 0.713556 0.937964 Se\n0.643222 0.286443 0.062036 Se\n",
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"density": 7.104715895408582,
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"volume": 259.942134942589,
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"formula_full": "Nd2 Lu2 Se6",
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"formula_anonymous": "ABC3",
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"spacegroup": 63
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{
"id": "jvasp-37535",
"created_at": "2022-09-04T14:38:11.099367Z",
"updated_at": "2022-09-04T14:38:11.099391Z",
"structure_string": "Th2 Cu4 Sn4\n1.0\n4.472121 -0.000000 0.000000\n0.000000 4.472121 -0.000000\n0.000000 -0.000000 10.609808\nTh Cu Sn\n2 4 4\ndirect\n0.500000 0.000000 0.240273 Th\n0.000000 0.500000 0.759727 Th\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.363686 Cu\n0.500000 0.000000 0.636314 Cu\n0.000000 0.500000 0.128187 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.871813 Sn\n",
"nsites": 10,
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{
"id": "jvasp-64050",
"created_at": "2022-09-04T14:38:11.095969Z",
"updated_at": "2022-09-04T14:38:11.095995Z",
"structure_string": "Ba2 Be1 Bi1\n1.0\n0.000000 4.179324 4.179324\n4.179324 -0.000000 4.179324\n4.179324 4.179324 0.000000\nBa Be Bi\n2 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
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{
"id": "jvasp-53482",
"created_at": "2022-09-04T14:38:11.095020Z",
"updated_at": "2022-09-04T14:38:11.095053Z",
"structure_string": "Na2 C1 O5\n1.0\n5.092234 0.182244 1.454593\n2.555887 4.408118 1.454593\n0.517754 0.310753 6.282577\nNa C O\n2 1 5\ndirect\n0.917235 0.917235 0.017485 Na\n0.005322 0.005322 0.523403 Na\n0.645840 0.645840 0.767330 C\n0.300508 0.562399 0.292923 O\n0.562398 0.300508 0.292923 O\n0.363177 0.809928 0.736566 O\n0.809928 0.363176 0.736567 O\n0.761590 0.761590 0.826805 O\n",
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{
"id": "jvasp-108964",
"created_at": "2022-09-04T14:38:11.092431Z",
"updated_at": "2022-09-04T14:38:11.092451Z",
"structure_string": "Mn2 Zn2 O6\n1.0\n4.440499 0.004160 3.145355\n1.628764 4.131002 3.145355\n0.006106 0.004160 5.441622\nMn Zn O\n2 2 6\ndirect\n0.341538 0.341538 0.341537 Mn\n0.658462 0.658461 0.658461 Mn\n0.133356 0.133356 0.133356 Zn\n0.866645 0.866644 0.866642 Zn\n0.062611 0.716373 0.451717 O\n0.451719 0.062611 0.716372 O\n0.716373 0.451718 0.062610 O\n0.283627 0.548282 0.937388 O\n0.548282 0.937388 0.283625 O\n0.937389 0.283626 0.548281 O\n",
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{
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"created_at": "2022-09-04T14:38:11.090487Z",
"updated_at": "2022-09-04T14:38:11.090514Z",
"structure_string": "Li2 Fe1 Si1 O4\n1.0\n0.000000 4.412825 0.000000\n2.206413 -2.206413 4.253650\n4.412825 0.000000 0.000000\nLi Fe Si O\n2 1 1 4\ndirect\n0.250001 0.500000 0.250000 Li\n0.750001 0.500000 0.750000 Li\n0.000000 0.000000 0.000000 Fe\n0.500001 0.000000 0.500001 Si\n0.395560 0.224773 0.170785 O\n0.829216 0.224773 0.604441 O\n0.604442 0.775227 0.395559 O\n0.170786 0.775227 0.829215 O\n",
"nsites": 8,
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{
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"updated_at": "2022-09-04T14:38:11.088877Z",
"structure_string": "Li4 Zn1 Cd3\n1.0\n4.451200 0.004199 6.712923\n2.026515 3.963135 6.712923\n0.006857 0.004199 8.054593\nLi Zn Cd\n4 1 3\ndirect\n0.126341 0.126341 0.126341 Li\n0.623428 0.623427 0.623428 Li\n0.003103 0.003103 0.003103 Li\n0.496133 0.496132 0.496132 Li\n0.376117 0.376117 0.376117 Zn\n0.873975 0.873974 0.873975 Cd\n0.745902 0.745901 0.745901 Cd\n0.255002 0.255002 0.255002 Cd\n",
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{
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"updated_at": "2022-09-04T14:38:11.088689Z",
"structure_string": "Pm1 Dy1 In2\n1.0\n-0.000378 3.784535 3.784535\n3.784535 -0.000378 3.784535\n3.784535 3.784535 -0.000378\nPm Dy In\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.249999 0.249999 0.249999 Dy\n0.000006 0.000006 0.000006 In\n0.499997 0.499997 0.499997 In\n",
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}
]
}