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{
"id": "jvasp-29357",
"created_at": "2022-09-04T14:38:05.902287Z",
"updated_at": "2022-09-04T14:38:05.902308Z",
"structure_string": "Zr2 N2 Cl2\n1.0\n3.560170 0.001151 8.786030\n1.713397 3.120749 8.786030\n0.001945 0.001151 9.479933\nZr N Cl\n2 2 2\ndirect\n0.119091 0.119091 0.119091 Zr\n0.880909 0.880909 0.880909 Zr\n0.197782 0.197782 0.197782 N\n0.802218 0.802218 0.802218 N\n0.387325 0.387325 0.387325 Cl\n0.612675 0.612675 0.612675 Cl\n",
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{
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"structure_string": "Ti2 Mo2\n1.0\n0.000000 -2.656043 -0.000000\n-5.224700 0.000000 0.000000\n2.612350 1.328021 -4.963034\nTi Mo\n2 2\ndirect\n0.631237 0.881237 0.762476 Ti\n0.368762 0.118762 0.237523 Ti\n0.626735 0.376736 0.753472 Mo\n0.373264 0.623264 0.246527 Mo\n",
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{
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"structure_string": "K6 Al4 As6\n1.0\n0.000000 7.516089 0.033790\n6.013708 0.000000 0.000000\n0.000000 -3.619703 -9.882201\nK Al As\n6 4 6\ndirect\n0.442198 0.250000 0.577801 K\n0.137190 0.750000 0.073603 K\n0.476099 0.750000 0.851910 K\n0.523901 0.250000 0.148090 K\n0.557802 0.750000 0.422199 K\n0.862810 0.250000 0.926397 K\n0.026425 -0.000093 0.658924 Al\n0.973576 0.499907 0.341076 Al\n0.026425 0.500093 0.658924 Al\n0.973576 0.000093 0.341076 Al\n0.808533 0.250000 0.468590 As\n0.191468 0.750000 0.531410 As\n0.256873 0.250000 0.822792 As\n0.743128 0.750000 0.177208 As\n0.161146 0.250000 0.251837 As\n0.838855 0.750000 0.748163 As\n",
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{
"id": "jvasp-37373",
"created_at": "2022-09-04T14:38:05.896368Z",
"updated_at": "2022-09-04T14:38:05.896392Z",
"structure_string": "Sm2 Mg1\n1.0\n-2.212946 -1.277644 -2.554811\n-2.212946 -1.277644 2.554811\n-1.196881 7.183639 -0.000000\nSm Mg\n2 1\ndirect\n0.089077 0.089077 0.011487 Sm\n0.410923 0.410923 0.655179 Sm\n0.750001 0.750001 0.333334 Mg\n",
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},
{
"id": "jvasp-9920",
"created_at": "2022-09-04T14:38:05.896130Z",
"updated_at": "2022-09-04T14:38:05.896157Z",
"structure_string": "Ca2 Bi4 O8\n1.0\n3.400426 0.000000 0.000000\n-1.700213 5.730999 0.000000\n-0.000000 -0.000000 11.351154\nCa Bi O\n2 4 8\ndirect\n0.384240 0.768479 0.750000 Ca\n0.615762 0.231522 0.250000 Ca\n0.868007 0.736014 0.077558 Bi\n0.131995 0.263987 0.922442 Bi\n0.868007 0.736014 0.422442 Bi\n0.131995 0.263987 0.577557 Bi\n0.224488 0.448978 0.378336 O\n0.775514 0.551023 0.621663 O\n0.775514 0.551023 0.878336 O\n0.224488 0.448978 0.121663 O\n0.974983 0.949964 0.250000 O\n0.025019 0.050037 0.750000 O\n0.500001 -0.000000 0.000000 O\n0.500001 -0.000000 0.500000 O\n",
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{
"id": "jvasp-38625",
"created_at": "2022-09-04T14:38:05.894406Z",
"updated_at": "2022-09-04T14:38:05.894423Z",
"structure_string": "Na3 Au1\n1.0\n-2.563743 2.563743 3.636728\n2.563743 -2.563743 3.636728\n2.563743 2.563743 -3.636728\nNa Au\n3 1\ndirect\n0.749999 0.250000 0.499998 Na\n0.250000 0.749999 0.499998 Na\n0.500001 0.500001 0.000000 Na\n0.000000 0.000000 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:38:05.892777Z",
"updated_at": "2022-09-04T14:38:05.892800Z",
"structure_string": "Li7 Fe3 Si2 O12\n1.0\n-4.175036 -2.410458 0.000049\n-4.175052 2.410486 0.000025\n1.391758 0.803532 -9.430681\nLi Fe Si O\n7 3 2 12\ndirect\n0.659595 0.666667 0.002044 Li\n0.825033 0.341003 0.498006 Li\n0.416667 0.666667 0.250000 Li\n0.333964 0.341004 0.001993 Li\n0.173737 0.666667 0.497955 Li\n0.499369 0.992330 0.498006 Li\n0.008299 0.992330 0.001993 Li\n0.916667 0.666667 0.749999 Fe\n0.583137 0.333726 0.750000 Fe\n0.250197 -0.000393 0.750000 Fe\n0.083333 0.333332 0.250000 Si\n0.750001 0.000001 0.250000 Si\n0.212114 0.332843 0.636341 O\n0.821074 0.666667 0.355977 O\n0.750399 0.297640 0.144038 O\n0.955044 0.332843 0.863658 O\n0.545078 0.666667 0.633812 O\n0.878291 0.000489 0.636342 O\n0.451962 0.297640 0.355961 O\n0.288255 0.666667 0.866187 O\n0.012258 0.666667 0.144022 O\n0.621219 0.000489 0.863658 O\n0.381373 0.035694 0.144038 O\n0.082935 0.035694 0.355961 O\n",
"nsites": 24,
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"elements": [
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"density_atomic": 0.12643746957944813,
"volume": 189.81714898145273,
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"formula_full": "Li7 Fe3 Si2 O12",
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{
"id": "jvasp-59016",
"created_at": "2022-09-04T14:38:05.889485Z",
"updated_at": "2022-09-04T14:38:05.889515Z",
"structure_string": "K12 Bi4 O12\n1.0\n8.752954 0.000000 -3.094637\n-4.376478 7.580280 -3.094637\n0.000000 0.000000 9.283910\nK Bi O\n12 4 12\ndirect\n0.244812 0.517823 0.517823 K\n0.726989 -0.000000 0.482176 K\n0.482176 -0.000000 0.726989 K\n0.517823 0.517823 0.244812 K\n0.482176 0.726989 -0.000001 K\n0.726989 0.482177 -0.000001 K\n-0.000000 0.726989 0.482176 K\n0.755187 0.273011 0.273010 K\n0.273010 0.755187 0.273010 K\n0.273011 0.273011 0.755187 K\n-0.000000 0.482177 0.726989 K\n0.517823 0.244813 0.517823 K\n-0.000000 0.291992 -0.000000 Bi\n0.000000 0.000000 0.291992 Bi\n0.708008 0.708008 0.708007 Bi\n0.291992 -0.000000 -0.000000 Bi\n0.212540 -0.000000 0.472421 O\n0.472421 -0.000000 0.212540 O\n0.527578 0.527579 0.740120 O\n0.472421 0.212540 -0.000000 O\n0.212540 0.472421 -0.000000 O\n-0.000000 0.212540 0.472421 O\n0.259879 0.787460 0.787459 O\n0.787459 0.259880 0.787459 O\n-0.000000 0.472421 0.212540 O\n0.740120 0.527579 0.527578 O\n0.527578 0.740120 0.527578 O\n0.787459 0.787460 0.259879 O\n",
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{
"id": "jvasp-18261",
"created_at": "2022-09-04T14:38:05.877645Z",
"updated_at": "2022-09-04T14:38:05.877664Z",
"structure_string": "Fe1 Cu2 Sn1 S4\n1.0\n4.991075 0.000000 -2.260738\n-1.024016 4.884897 -2.260738\n-0.017006 -0.020940 6.602271\nFe Cu Sn S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.249999 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 -0.000000 Sn\n0.098396 0.098397 0.735540 S\n0.362857 0.901604 0.264459 S\n0.901604 0.362857 0.264459 S\n0.637142 0.637143 0.735540 S\n",
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{
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"created_at": "2022-09-04T14:38:05.876551Z",
"updated_at": "2022-09-04T14:38:05.876578Z",
"structure_string": "Li4 Al2 Co2 O8\n1.0\n3.729439 3.749539 0.000000\n-3.729439 3.749539 0.000000\n0.000000 0.000000 6.303716\nLi Al Co O\n4 2 2 8\ndirect\n0.314312 0.685689 0.500000 Li\n0.182148 0.182148 0.750000 Li\n0.817852 0.817852 0.250000 Li\n0.685689 0.314312 0.000000 Li\n0.323905 0.676095 0.000000 Al\n0.676095 0.323905 0.500000 Al\n0.825906 0.825906 0.750000 Co\n0.174094 0.174094 0.250000 Co\n0.197901 0.817923 0.232576 O\n0.182078 0.802099 0.767425 O\n0.295849 0.339392 0.009827 O\n0.660608 0.704151 0.990174 O\n0.339392 0.295849 0.490174 O\n0.704151 0.660608 0.509827 O\n0.802099 0.182078 0.732576 O\n0.817923 0.197901 0.267424 O\n",
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{
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"created_at": "2022-09-04T14:38:05.873415Z",
"updated_at": "2022-09-04T14:38:05.873445Z",
"structure_string": "Ti4 Cr1\n1.0\n11.083839 -0.013806 1.969879\n10.790178 2.526174 0.829679\n0.001895 -0.016390 2.799558\nTi Cr\n4 1\ndirect\n0.414026 0.414023 0.585976 Ti\n0.803351 0.803345 0.196652 Ti\n0.196652 0.196651 0.803349 Ti\n0.585978 0.585974 0.414024 Ti\n0.000000 0.000000 0.000000 Cr\n",
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{
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"updated_at": "2022-09-04T14:38:05.873302Z",
"structure_string": "Pu2 H6\n1.0\n1.865478 -3.231104 0.000000\n1.865478 3.231104 0.000000\n-0.000000 -0.000000 6.677242\nPu H\n2 6\ndirect\n0.333334 0.666667 0.250000 Pu\n0.666667 0.333334 0.750000 Pu\n0.666667 0.333334 0.092936 H\n0.333334 0.666667 0.592936 H\n0.000000 0.000000 0.750000 H\n0.000000 0.000000 0.250000 H\n0.666667 0.333334 0.407064 H\n0.333334 0.666667 0.907064 H\n",
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]
}