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{
"id": "jvasp-58424",
"created_at": "2022-09-04T14:37:30.310043Z",
"updated_at": "2022-09-04T14:37:30.310075Z",
"structure_string": "K1 Rb2 Sc1 F6\n1.0\n5.535683 -0.000000 3.196028\n1.845228 5.219092 3.196028\n-0.000000 -0.000000 6.392056\nK Rb Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.223824 0.776177 0.776178 F\n0.223824 0.776177 0.223824 F\n0.776177 0.223823 0.776178 F\n0.223823 0.223823 0.776177 F\n0.776177 0.223823 0.223824 F\n0.776177 0.776177 0.223824 F\n",
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{
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"updated_at": "2022-09-04T14:38:52.524857Z",
"structure_string": "Co6 O4 F8\n1.0\n4.535071 0.029195 0.234362\n0.342706 5.411461 0.410802\n-0.054094 0.004974 7.524650\nCo O F\n6 4 8\ndirect\n0.509132 0.151221 0.834649 Co\n0.490870 0.848779 0.165350 Co\n0.500001 0.500000 0.500000 Co\n0.000001 -0.000000 0.500000 Co\n0.021663 0.320354 0.153502 Co\n0.978339 0.679646 0.846497 Co\n0.307972 0.128450 0.059301 O\n0.302840 0.800021 0.398010 O\n0.697161 0.199979 0.601989 O\n0.692029 0.871549 0.940699 O\n0.214788 0.963416 0.737754 F\n0.785214 0.036584 0.262245 F\n0.803769 0.698409 0.603574 F\n0.785290 0.357972 0.929378 F\n0.711018 0.541263 0.255468 F\n0.288984 0.458737 0.744531 F\n0.214712 0.642028 0.070621 F\n0.196233 0.301591 0.396426 F\n",
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"formula_full": "Co6 O4 F8",
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{
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"created_at": "2022-09-04T14:38:11.910468Z",
"updated_at": "2022-09-04T14:38:11.910493Z",
"structure_string": "Tb2 Cu2 Sb4\n1.0\n4.321538 0.000000 -0.000000\n-0.000000 4.321538 0.000000\n-0.000000 0.000000 9.887059\nTb Cu Sb\n2 2 4\ndirect\n0.500000 0.000000 0.750710 Tb\n0.000000 0.500000 0.249290 Tb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.338485 Sb\n0.000000 0.500000 0.661515 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 8,
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"volume": 184.6476556727353,
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"formula_full": "Tb2 Cu2 Sb4",
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{
"id": "jvasp-11527",
"created_at": "2022-09-04T14:37:11.682323Z",
"updated_at": "2022-09-04T14:37:11.682334Z",
"structure_string": "Ca2 Sn3 O8\n1.0\n5.144685 0.000203 -1.606487\n-0.940352 5.588858 -3.010718\n-0.077657 -0.170713 6.546924\nCa Sn O\n2 3 8\ndirect\n0.654541 0.719700 0.439397 Ca\n0.345457 0.280302 0.560601 Ca\n0.500000 0.999999 -0.000001 Sn\n0.999998 0.737694 -0.000001 Sn\n0.999998 0.262305 -0.000001 Sn\n0.058401 0.390733 0.781465 O\n0.941598 0.609266 0.218533 O\n0.084843 0.897357 0.794712 O\n0.915156 0.102643 0.205285 O\n0.398675 0.330946 0.220234 O\n0.398675 0.889288 0.220233 O\n0.601325 0.110711 0.779765 O\n0.601325 0.669054 0.779765 O\n",
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"density": 5.074659187396307,
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"formula_full": "Ca2 Sn3 O8",
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"created_at": "2022-09-04T14:36:32.838489Z",
"updated_at": "2022-09-04T14:36:32.838507Z",
"structure_string": "Zn4 Fe4 O12\n1.0\n0.000000 5.004141 0.000367\n5.063949 0.000000 0.000000\n0.000000 -5.003550 -7.286794\nZn Fe O\n4 4 12\ndirect\n0.254199 0.044863 0.250006 Zn\n0.254198 0.455137 0.750006 Zn\n0.745801 0.544863 0.249993 Zn\n0.745800 0.955137 0.749993 Zn\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.499999 0.500000 0.500000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.755230 0.188783 0.939343 O\n0.376543 0.311216 0.060660 O\n0.623456 0.688784 0.939339 O\n0.244769 0.811217 0.060656 O\n0.376543 0.188784 0.560660 O\n0.865262 0.944100 0.249996 O\n0.134738 0.444100 0.250003 O\n0.134737 0.055900 0.750003 O\n0.244769 0.688783 0.560656 O\n0.865261 0.555900 0.749996 O\n0.755230 0.311217 0.439344 O\n0.623456 0.811216 0.439339 O\n",
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"volume": 184.64326970970677,
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"formula_full": "Zn4 Fe4 O12",
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"spacegroup": 62
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{
"id": "jvasp-100119",
"created_at": "2022-09-04T14:36:39.470822Z",
"updated_at": "2022-09-04T14:36:39.470842Z",
"structure_string": "Rb3 Ga1 F6\n1.0\n5.535355 -0.000000 3.195839\n1.845118 5.218782 3.195839\n-0.000000 -0.000000 6.391677\nRb Ga F\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Ga\n0.787660 0.212340 0.212340 F\n0.212340 0.212340 0.787661 F\n0.212340 0.787660 0.787661 F\n0.212340 0.787660 0.212340 F\n0.787660 0.212340 0.787661 F\n0.787660 0.787660 0.212340 F\n",
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"volume": 184.64155738943796,
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"formula_full": "Rb3 Ga1 F6",
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{
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"created_at": "2022-09-04T14:37:19.983348Z",
"updated_at": "2022-09-04T14:37:19.983381Z",
"structure_string": "Sr2 Pd2 F8\n1.0\n5.301052 0.000000 -2.515299\n-1.193486 5.164954 -2.515299\n-0.030076 -0.037818 6.780310\nSr Pd F\n2 2 8\ndirect\n0.249999 0.250000 0.499999 Sr\n0.749999 0.749999 0.499999 Sr\n-0.000000 0.500000 -0.000000 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.962522 0.462523 0.264696 F\n0.697825 0.197826 0.735302 F\n0.037476 0.537476 0.735302 F\n0.197826 0.037477 0.735303 F\n0.302173 0.802173 0.264696 F\n0.462522 0.302173 0.264696 F\n0.802172 0.962522 0.264696 F\n0.537475 0.697825 0.735302 F\n",
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{
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"created_at": "2022-09-04T14:35:56.196139Z",
"updated_at": "2022-09-04T14:35:56.196165Z",
"structure_string": "Er2 Cd6\n1.0\n4.835567 0.000000 0.000000\n0.000000 5.932612 -2.540654\n-0.000000 -0.042782 6.453602\nEr Cd\n2 6\ndirect\n0.250000 0.635081 0.364919 Er\n0.750001 0.364919 0.635081 Er\n0.750001 0.875959 0.686888 Cd\n0.250000 0.124041 0.313113 Cd\n0.750001 0.823393 0.176607 Cd\n0.250000 0.176607 0.823393 Cd\n0.750001 0.313113 0.124041 Cd\n0.250000 0.686887 0.875959 Cd\n",
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{
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"created_at": "2022-09-04T14:38:44.395267Z",
"updated_at": "2022-09-04T14:38:44.395298Z",
"structure_string": "Na2 Ca2 Si2 O8\n1.0\n5.362843 0.019812 0.000000\n-2.378533 4.806564 0.000000\n-0.000000 -0.000000 7.148783\nNa Ca Si O\n2 2 2 8\ndirect\n0.684549 0.315450 0.750000 Na\n0.315450 0.684549 0.250000 Na\n-0.000077 -0.000077 0.000000 Ca\n0.000077 0.000077 0.500000 Ca\n0.357887 0.642112 0.750000 Si\n0.642113 0.357886 0.250000 Si\n0.697270 0.776502 0.749945 O\n0.776502 0.697269 0.250055 O\n0.302730 0.223497 0.249945 O\n0.223497 0.302729 0.750055 O\n0.253991 0.746379 0.938965 O\n0.746379 0.253990 0.061035 O\n0.746009 0.253620 0.438965 O\n0.253620 0.746008 0.561034 O\n",
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{
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"created_at": "2022-09-04T14:37:17.253317Z",
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"structure_string": "Ba2 Fe2 F8\n1.0\n4.142437 0.000000 -1.180606\n0.000000 5.803244 0.000000\n-0.046989 -0.000000 7.692794\nBa Fe F\n2 2 8\ndirect\n0.852405 0.969881 0.704809 Ba\n0.147595 0.469882 0.295190 Ba\n0.411417 0.505749 0.822833 Fe\n0.588584 0.005749 0.177166 Fe\n0.919712 0.508311 0.839422 F\n0.080288 0.008311 0.160577 F\n0.469116 0.842747 0.938232 F\n0.530884 0.342748 0.061767 F\n0.699898 0.212039 0.399794 F\n0.300103 0.712038 0.600205 F\n0.673220 0.733670 0.346440 F\n0.326780 0.233670 0.653559 F\n",
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{
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"created_at": "2022-09-04T14:35:55.264647Z",
"updated_at": "2022-09-04T14:35:55.264675Z",
"structure_string": "Sm3 Zn3 Pd3\n1.0\n0.000000 0.000000 -3.910297\n-3.691804 -6.394391 0.000000\n-3.691451 6.394187 0.000000\nSm Zn Pd\n3 3 3\ndirect\n0.000000 0.594313 -0.000000 Sm\n0.000000 0.405664 0.405675 Sm\n0.000000 -0.000011 0.594325 Sm\n0.500000 0.249266 -0.000000 Zn\n0.500000 0.750711 0.750723 Zn\n0.500000 0.999987 0.249276 Zn\n0.000000 0.999989 -0.000000 Pd\n0.500000 0.333322 0.666667 Pd\n0.500000 0.666655 0.333333 Pd\n",
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"formula_full": "Sm3 Zn3 Pd3",
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}
]
}