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{
"id": "jvasp-122582",
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"structure_string": "Lu1 Sn7\n1.0\n6.728484 -0.000000 0.000000\n-0.000000 6.728484 0.000000\n0.000000 -0.000000 6.728484\nLu Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Lu\n0.255196 0.255196 0.755195 Sn\n0.000000 0.500000 0.000000 Sn\n0.255196 0.744804 0.244804 Sn\n0.500000 0.000000 0.000000 Sn\n0.744804 0.255196 0.244804 Sn\n0.500000 0.500000 0.500000 Sn\n0.744804 0.744804 0.755195 Sn\n",
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{
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{
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"created_at": "2022-09-04T14:38:50.401843Z",
"updated_at": "2022-09-04T14:38:50.401876Z",
"structure_string": "Na6 Co2 B2 As2 O14\n1.0\n9.039455 0.008717 0.315154\n-0.004534 6.441847 -0.013936\n0.041840 0.011684 5.233123\nNa Co B As O\n6 2 2 2 14\ndirect\n0.075392 0.250297 0.768275 Na\n0.250357 0.005042 0.247895 Na\n0.250560 0.494973 0.247916 Na\n0.749447 0.505032 0.752087 Na\n0.749650 -0.005034 0.752103 Na\n0.924611 0.749702 0.231725 Na\n0.326775 0.750020 0.784109 Co\n0.673223 0.249975 0.215895 Co\n0.930940 0.250056 0.279426 B\n0.069061 0.749952 0.720571 B\n0.427860 0.249953 0.715442 As\n0.572141 0.750042 0.284559 As\n0.818547 0.250041 0.471326 O\n0.694573 0.950881 0.206126 O\n0.694474 0.549084 0.205925 O\n0.528755 0.749981 0.612576 O\n0.587353 0.249856 0.876879 O\n0.412649 0.750140 0.123117 O\n0.076605 0.250183 0.315963 O\n0.305525 0.450916 0.794058 O\n0.305429 0.049113 0.793874 O\n0.181453 0.749966 0.528671 O\n0.134316 0.750012 0.958882 O\n0.865679 0.249986 0.041119 O\n0.471245 0.250004 0.387425 O\n0.923396 0.749830 0.684027 O\n",
"nsites": 26,
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{
"id": "jvasp-12478",
"created_at": "2022-09-04T14:38:06.590511Z",
"updated_at": "2022-09-04T14:38:06.590521Z",
"structure_string": "Sr2 Zn2 Cl8\n1.0\n6.020087 -0.000001 -2.482326\n-1.023564 5.932433 -2.482327\n-0.003062 -0.003635 8.533630\nSr Zn Cl\n2 2 8\ndirect\n0.875001 0.625000 0.750000 Sr\n0.125000 0.375000 0.250000 Sr\n0.625001 0.875000 0.250000 Zn\n0.375001 0.125001 0.750000 Zn\n0.716837 0.364858 0.914685 Cl\n0.864858 0.697849 0.414685 Cl\n0.283165 0.635143 0.085315 Cl\n0.450174 0.783165 0.585315 Cl\n0.549828 0.216836 0.414685 Cl\n0.802153 0.950173 0.085315 Cl\n0.135143 0.302152 0.585315 Cl\n0.197849 0.049828 0.914685 Cl\n",
"nsites": 12,
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"spacegroup": 88
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{
"id": "jvasp-38301",
"created_at": "2022-09-04T14:37:58.877009Z",
"updated_at": "2022-09-04T14:37:58.877025Z",
"structure_string": "Rb1 Ti5 Se8\n1.0\n-0.000000 3.615289 0.000000\n-2.257061 0.000000 8.923270\n9.452106 -1.807644 -0.028626\nRb Ti Se\n1 5 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ti\n0.656504 -0.001383 0.313005 Ti\n0.707921 0.348394 0.415840 Ti\n0.292081 0.651605 0.584161 Ti\n0.343499 0.001382 0.686995 Ti\n0.573667 0.174524 0.147334 Se\n0.087898 0.822858 0.175796 Se\n0.161740 0.499556 0.323478 Se\n0.242924 0.165298 0.485845 Se\n0.757079 0.834701 0.514155 Se\n0.838263 0.500444 0.676523 Se\n0.912104 0.177142 0.824205 Se\n0.426334 0.825476 0.852665 Se\n",
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{
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"created_at": "2022-09-04T14:37:41.113089Z",
"updated_at": "2022-09-04T14:37:41.113115Z",
"structure_string": "Pr4 Zn4 Sn4\n1.0\n2.292926 -3.971465 -0.000000\n2.292926 3.971465 0.000000\n-0.000000 0.000000 16.732462\nPr Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Pr\n0.000000 0.000000 0.250000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.666668 0.333334 0.842798 Zn\n0.666668 0.333334 0.657201 Zn\n0.333334 0.666668 0.157201 Zn\n0.333334 0.666668 0.342799 Zn\n0.666668 0.333334 0.115260 Sn\n0.666668 0.333334 0.384740 Sn\n0.333334 0.666668 0.884740 Sn\n0.333334 0.666668 0.615260 Sn\n",
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"formula_full": "Pr4 Zn4 Sn4",
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"spacegroup": 194
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{
"id": "jvasp-54929",
"created_at": "2022-09-04T14:38:11.260518Z",
"updated_at": "2022-09-04T14:38:11.260546Z",
"structure_string": "Ca4 Zn4 Cu2 P6\n1.0\n2.026239 -3.509547 0.000000\n2.026239 3.509547 -0.000000\n0.000000 0.000000 21.427027\nCa Zn Cu P\n4 4 2 6\ndirect\n0.000000 0.000000 0.658923 Ca\n0.000000 0.000000 0.341077 Ca\n0.000000 0.000000 0.158923 Ca\n0.000000 0.000000 0.841077 Ca\n0.333333 0.666667 0.956847 Zn\n0.666667 0.333333 0.456847 Zn\n0.666667 0.333333 0.043153 Zn\n0.333333 0.666667 0.543153 Zn\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.576332 P\n0.333333 0.666667 0.423669 P\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.923669 P\n0.333333 0.666667 0.076331 P\n0.666667 0.333333 0.250000 P\n",
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{
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"created_at": "2022-09-04T14:38:34.412128Z",
"updated_at": "2022-09-04T14:38:34.412157Z",
"structure_string": "K2 Ca2 Cl6\n1.0\n-6.448339 0.000000 3.253360\n-4.044873 5.983680 -0.000000\n-6.404533 0.029612 -4.676975\nK Ca Cl\n2 2 6\ndirect\n0.859242 0.859242 0.422274 K\n0.140758 0.140758 0.577725 K\n0.659058 0.659058 0.022825 Ca\n0.340940 0.340941 0.977177 Ca\n0.466812 0.702050 0.767851 Cl\n0.063283 0.466813 0.767851 Cl\n0.702051 0.063284 0.767852 Cl\n0.533187 0.297949 0.232149 Cl\n0.297949 0.936715 0.232148 Cl\n0.936715 0.533187 0.232148 Cl\n",
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{
"id": "jvasp-53229",
"created_at": "2022-09-04T14:37:01.856073Z",
"updated_at": "2022-09-04T14:37:01.856099Z",
"structure_string": "K2 Ca2 Nb4 O12 F2\n1.0\n6.534647 0.053625 3.807368\n2.228773 6.143049 3.807368\n0.000000 0.000000 7.614737\nK Ca Nb O F\n2 2 4 12 2\ndirect\n0.500000 0.000000 0.500000 K\n-0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n-0.000000 -0.000000 0.500000 Nb\n0.500000 0.000000 -0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n-0.000000 0.500000 0.000000 Nb\n0.926112 0.318597 0.940221 O\n0.940227 0.940229 0.309773 O\n0.318596 0.926113 0.940221 O\n0.926112 0.318597 0.315070 O\n0.681404 0.073888 0.684930 O\n0.681644 0.681645 0.068357 O\n0.681404 0.073888 0.059779 O\n0.318596 0.926113 0.315071 O\n0.073887 0.681404 0.684930 O\n0.059772 0.059772 0.690228 O\n0.073887 0.681404 0.059780 O\n0.318355 0.318356 0.931645 O\n0.402314 0.402314 0.347686 F\n0.597686 0.597687 0.652314 F\n",
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{
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"created_at": "2022-09-04T14:38:27.578131Z",
"updated_at": "2022-09-04T14:38:27.578149Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.246977 0.017781 1.446895\n1.481729 6.702839 -2.991696\n0.026191 0.014439 8.672300\nLi V O F\n3 6 3 15\ndirect\n0.412248 0.721991 0.006694 Li\n0.902808 0.467071 0.349681 Li\n0.438663 0.209357 0.982881 Li\n0.647085 0.329152 0.674792 V\n0.667673 0.826426 0.655294 V\n0.018664 0.493633 0.985808 V\n0.357728 0.667467 0.343473 V\n0.006535 0.001344 0.010439 V\n0.327033 0.148271 0.327554 V\n0.228391 0.015536 0.136080 O\n0.572370 0.679748 0.468943 O\n0.365599 0.383463 0.866818 O\n0.303944 0.989881 0.809135 F\n0.718995 0.038400 0.576659 F\n0.747620 0.009196 0.879417 F\n0.622485 0.633684 0.766451 F\n0.947930 0.303716 0.461284 F\n0.424862 0.331845 0.527574 F\n0.626509 0.629451 0.114113 F\n0.037764 0.679400 0.527722 F\n0.374274 0.366537 0.233586 F\n0.944648 0.307420 0.103349 F\n0.277470 0.958451 0.428677 F\n0.061791 0.708452 0.906292 F\n0.101921 0.664600 0.204015 F\n0.699449 0.022880 0.205485 F\n0.907380 0.321422 0.791081 F\n",
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{
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"created_at": "2022-09-04T14:37:02.224504Z",
"updated_at": "2022-09-04T14:37:02.224525Z",
"structure_string": "Ag6 As2 S6\n1.0\n6.732564 0.143713 -1.491899\n-1.888055 6.464002 -1.491899\n0.105364 0.143713 6.895077\nAg As S\n6 2 6\ndirect\n0.265362 0.927051 0.450830 Ag\n0.927050 0.450830 0.265362 Ag\n0.450830 0.265362 0.927052 Ag\n0.765361 0.950830 0.427051 Ag\n0.427050 0.765362 0.950831 Ag\n0.950829 0.427051 0.765363 Ag\n0.003508 0.003508 0.003508 As\n0.503507 0.503507 0.503508 As\n0.095404 0.778094 0.760848 S\n0.778093 0.760848 0.095405 S\n0.595405 0.260848 0.278094 S\n0.760847 0.095405 0.778094 S\n0.260848 0.278094 0.595406 S\n0.278093 0.595405 0.260848 S\n",
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"volume": 304.78167852590644,
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"formula_full": "Ag6 As2 S6",
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"spacegroup": 161
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{
"id": "jvasp-107416",
"created_at": "2022-09-04T14:36:53.007755Z",
"updated_at": "2022-09-04T14:36:53.007767Z",
"structure_string": "Rb2 Al1 Ag1 Br6\n1.0\n6.541918 -0.000000 3.776978\n2.180639 6.167779 3.776978\n-0.000000 -0.000000 7.553956\nRb Al Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.763356 0.236644 0.236644 Br\n0.236644 0.236644 0.763356 Br\n0.236644 0.763356 0.763356 Br\n0.236644 0.763356 0.236644 Br\n0.763356 0.236644 0.763356 Br\n0.763356 0.763356 0.236645 Br\n",
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],
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}
]
}