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{
"id": "jvasp-43012",
"created_at": "2022-09-04T14:38:15.986912Z",
"updated_at": "2022-09-04T14:38:15.986927Z",
"structure_string": "Li2 Cr2 Fe2 O8\n1.0\n5.671868 -0.000000 -0.000000\n2.835934 5.020256 -0.000451\n2.835934 1.672994 4.733292\nLi Cr Fe O\n2 2 2 8\ndirect\n0.123565 0.126435 0.126435 Li\n0.876434 0.873565 0.873565 Li\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n-0.000001 0.500000 0.500000 Fe\n0.499999 0.500000 0.500000 Fe\n0.255730 0.265172 0.265172 O\n0.261096 0.266240 0.711567 O\n0.261096 0.711568 0.266240 O\n0.713925 0.265172 0.265172 O\n0.286074 0.734828 0.734828 O\n0.738903 0.733760 0.288432 O\n0.738903 0.288432 0.733760 O\n0.744269 0.734828 0.734828 O\n",
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{
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"structure_string": "Ba2 Sr1 W1 O6\n1.0\n5.265795 -0.000000 3.024372\n1.783177 4.975402 2.991652\n-0.027914 -0.027458 6.144980\nBa Sr W O\n2 1 1 6\ndirect\n0.247794 0.745785 0.758627 Ba\n0.752208 0.254214 0.241371 Ba\n0.000001 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 W\n0.234170 0.257860 0.821795 O\n0.313825 0.742140 0.178204 O\n0.765833 0.742140 0.178203 O\n0.686177 0.257860 0.821795 O\n0.719496 0.852207 0.708803 O\n0.280506 0.147792 0.291196 O\n",
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"formula_full": "Ba2 Sr1 W1 O6",
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{
"id": "jvasp-19806",
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"updated_at": "2022-09-04T14:38:15.949723Z",
"structure_string": "Pr1 Se1\n1.0\n3.691265 0.000000 2.131152\n1.230422 3.480158 2.131152\n0.000000 0.000000 4.262306\nPr Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499999 0.500000 0.500000 Se\n",
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"volume": 54.75437319222442,
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"formula_full": "Pr1 Se1",
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{
"id": "jvasp-10250",
"created_at": "2022-09-04T14:38:15.941523Z",
"updated_at": "2022-09-04T14:38:15.941547Z",
"structure_string": "Tl8 Si2 S8\n1.0\n7.264146 0.003583 2.191178\n2.267998 8.141493 0.912047\n-0.017006 0.005720 8.500543\nTl Si S\n8 2 8\ndirect\n0.486510 0.597757 0.372662 Tl\n0.581234 0.992936 0.245249 Tl\n0.081233 0.245249 0.992936 Tl\n0.552717 0.405729 0.981564 Tl\n0.052717 0.981563 0.405730 Tl\n0.576943 0.785731 0.786900 Tl\n0.076942 0.786900 0.785731 Tl\n-0.013491 0.372662 0.597758 Tl\n0.028921 0.619283 0.201251 Si\n0.528921 0.201250 0.619284 Si\n0.204382 0.780463 0.086762 S\n0.352234 0.050389 0.603235 S\n0.844344 0.720682 0.430516 S\n0.203919 0.379148 0.248139 S\n0.703919 0.248139 0.379148 S\n0.704382 0.086761 0.780464 S\n0.852235 0.603235 0.050390 S\n0.344343 0.430515 0.720682 S\n",
"nsites": 18,
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"density": 6.430645083026793,
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"volume": 502.95533546020255,
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"formula_full": "Tl8 Si2 S8",
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{
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"created_at": "2022-09-04T14:38:15.939590Z",
"updated_at": "2022-09-04T14:38:15.939623Z",
"structure_string": "Pr4 Ge4\n1.0\n4.104978 -0.000000 0.000000\n0.000000 6.029064 0.000000\n0.000000 0.000000 8.357411\nPr Ge\n4 4\ndirect\n0.250000 0.382061 0.681248 Pr\n0.750000 0.617939 0.318752 Pr\n0.750000 0.882060 0.818752 Pr\n0.250000 0.117939 0.181248 Pr\n0.250000 0.862058 0.538747 Ge\n0.750000 0.137941 0.461253 Ge\n0.750000 0.362059 0.961253 Ge\n0.250000 0.637941 0.038747 Ge\n",
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{
"id": "jvasp-109519",
"created_at": "2022-09-04T14:38:15.935822Z",
"updated_at": "2022-09-04T14:38:15.935846Z",
"structure_string": "Dy1 Ho3\n1.0\n4.931664 -0.000000 0.000000\n0.000000 4.931664 0.000000\n-0.000000 -0.000000 4.931664\nDy Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n-0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 -0.000000 Ho\n",
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{
"id": "jvasp-43029",
"created_at": "2022-09-04T14:38:15.935458Z",
"updated_at": "2022-09-04T14:38:15.935478Z",
"structure_string": "Li4 Fe2 O6\n1.0\n4.895912 -0.003513 0.000718\n-2.440447 4.244314 0.001082\n-0.831072 -1.435623 4.687639\nLi Fe O\n4 2 6\ndirect\n0.507449 0.007844 0.000277 Li\n0.007436 0.507707 0.500215 Li\n0.168658 0.346609 0.000188 Li\n0.846283 0.668989 0.000195 Li\n0.340613 0.174519 0.500227 Fe\n0.674232 0.840904 0.500227 Fe\n0.726954 0.227243 0.728292 O\n0.287891 0.788183 0.272155 O\n0.440564 0.583518 0.723831 O\n0.931610 0.074575 0.276629 O\n0.574295 0.431905 0.276634 O\n0.083226 0.940828 0.723823 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.0149120059262575,
"density_atomic": 0.12322781484537246,
"volume": 97.3806117965958,
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"formula_full": "Li4 Fe2 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 12
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{
"id": "jvasp-43732",
"created_at": "2022-09-04T14:38:15.934769Z",
"updated_at": "2022-09-04T14:38:15.934791Z",
"structure_string": "Li2 Mn2 F8\n1.0\n3.275696 3.153524 -0.000000\n-3.275696 3.153524 -0.000000\n0.000000 -0.000000 6.286670\nLi Mn F\n2 2 8\ndirect\n0.499920 0.499920 0.250000 Li\n0.500079 0.500079 0.750000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.195773 0.804267 0.750000 F\n0.195732 0.804226 0.250000 F\n0.709839 0.709839 0.500023 F\n0.290160 0.290160 0.000023 F\n0.709839 0.709839 -0.000023 F\n0.290160 0.290160 0.499977 F\n0.804226 0.195732 0.250000 F\n0.804267 0.195773 0.750000 F\n",
"nsites": 12,
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],
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"volume": 129.88242557857131,
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"formula_full": "Li2 Mn2 F8",
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{
"id": "jvasp-109092",
"created_at": "2022-09-04T14:38:15.934748Z",
"updated_at": "2022-09-04T14:38:15.934773Z",
"structure_string": "Yb3 Pr1\n1.0\n5.086688 -0.000000 2.936801\n1.695563 4.795776 2.936801\n-0.000000 -0.000000 5.873602\nYb Pr\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750001 0.749999 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Pr\n",
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{
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"created_at": "2022-09-04T14:38:15.932884Z",
"updated_at": "2022-09-04T14:38:15.932911Z",
"structure_string": "K4 Mn2 H4 O2 F10\n1.0\n0.000000 5.889194 -0.038581\n8.223370 0.000000 0.000000\n0.000000 -0.692762 -6.043723\nK Mn H O F\n4 2 4 2 10\ndirect\n0.079505 0.750000 0.518370 K\n0.920494 0.250000 0.481630 K\n0.498558 0.750000 0.093650 K\n0.501441 0.250000 0.906350 K\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.624609 0.652861 0.619351 H\n0.375390 0.152860 0.380648 H\n0.375390 0.347140 0.380648 H\n0.624609 0.847140 0.619351 H\n0.443426 0.250000 0.457760 O\n0.556573 0.750000 0.542240 O\n0.207643 0.504185 0.264060 F\n0.792357 0.004185 0.735940 F\n0.792357 0.495815 0.735940 F\n0.207643 0.995815 0.264060 F\n0.243208 0.530876 0.831116 F\n0.756792 0.030876 0.168883 F\n0.756792 0.469124 0.168883 F\n0.243208 0.969124 0.831116 F\n0.958630 0.750000 0.028720 F\n0.041370 0.250000 0.971279 F\n",
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{
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"structure_string": "Yb2 Rh4\n1.0\n4.556698 -0.000000 2.630811\n1.518900 4.296096 2.630811\n-0.000000 -0.000000 5.261621\nYb Rh\n2 4\ndirect\n0.875000 0.875001 0.874999 Yb\n0.125000 0.125000 0.125000 Yb\n0.500000 0.500001 0.499999 Rh\n0.500000 0.500001 -0.000000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n",
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{
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"created_at": "2022-09-04T14:38:15.932352Z",
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"structure_string": "Pm1 Er1 Zn2\n1.0\n4.383590 -0.000000 2.530867\n1.461197 4.132888 2.530867\n-0.000000 -0.000000 5.061734\nPm Er Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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