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{
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{
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"structure_string": "Ca2 Bi2 Cl2 O4\n1.0\n0.000000 6.392876 0.029951\n4.150602 0.000000 0.000000\n0.000000 -1.994633 -7.526254\nCa Bi Cl O\n2 2 2 4\ndirect\n0.671352 0.250000 0.920514 Ca\n0.328649 0.750000 0.079485 Ca\n0.682301 0.250000 0.408873 Bi\n0.317700 0.750000 0.591127 Bi\n0.055989 0.250000 0.813250 Cl\n0.944012 0.750000 0.186750 Cl\n0.529189 0.750000 0.401127 O\n0.470812 0.250000 0.598872 O\n0.511685 0.750000 0.857571 O\n0.488316 0.250000 0.142428 O\n",
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{
"id": "jvasp-24259",
"created_at": "2022-09-04T14:37:42.997294Z",
"updated_at": "2022-09-04T14:37:42.997306Z",
"structure_string": "Ba4 Bi4 B4 O16\n1.0\n5.195169 0.000000 0.000000\n0.000000 8.603593 0.000000\n0.000000 0.000000 9.737007\nBa Bi B O\n4 4 4 16\ndirect\n0.749413 0.006596 0.183921 Ba\n0.249413 0.493404 0.683921 Ba\n0.249413 0.993404 0.816079 Ba\n0.749413 0.506596 0.316079 Ba\n0.249407 0.308028 0.064561 Bi\n0.749408 0.691972 0.935439 Bi\n0.749408 0.191972 0.564561 Bi\n0.249407 0.808028 0.435439 Bi\n0.249432 0.700496 0.059486 B\n0.749432 0.299504 0.940514 B\n0.749432 0.799504 0.559486 B\n0.249432 0.200496 0.440514 B\n0.749437 0.428579 0.587441 O\n0.484594 0.207202 0.374925 O\n0.749437 0.928579 0.912559 O\n0.249437 0.071420 0.087441 O\n0.014258 0.207165 0.374939 O\n0.514258 0.292835 0.874939 O\n0.249459 0.184379 0.583468 O\n0.749459 0.815621 0.416532 O\n0.249437 0.571420 0.412559 O\n0.984594 0.792798 0.625075 O\n0.014258 0.707165 0.125061 O\n0.514258 0.792835 0.625061 O\n0.984594 0.292798 0.874925 O\n0.484594 0.707202 0.125075 O\n0.249459 0.684379 0.916532 O\n0.749459 0.315621 0.083468 O\n",
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{
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"created_at": "2022-09-04T14:37:41.899991Z",
"updated_at": "2022-09-04T14:37:41.900019Z",
"structure_string": "Mg6 B2 O6 F6\n1.0\n4.433037 -7.678246 -0.000000\n4.433037 7.678246 -0.000000\n0.000000 0.000000 3.110093\nMg B O F\n6 2 6 6\ndirect\n0.337176 0.367072 0.250000 Mg\n0.367072 0.029896 0.749999 Mg\n0.662825 0.632928 0.749999 Mg\n0.029896 0.662825 0.250000 Mg\n0.632928 0.970104 0.250000 Mg\n0.970104 0.337176 0.749999 Mg\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.749999 B\n0.550651 0.154633 0.250000 O\n0.396018 0.550651 0.749999 O\n0.154633 0.603982 0.749999 O\n0.449350 0.845368 0.749999 O\n0.603982 0.449350 0.250000 O\n0.845368 0.396018 0.250000 O\n0.700045 0.790020 0.250000 F\n0.910025 0.700045 0.749999 F\n0.299956 0.209980 0.749999 F\n0.089975 0.299956 0.250000 F\n0.209980 0.910025 0.250000 F\n0.790020 0.089975 0.749999 F\n",
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{
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"created_at": "2022-09-04T14:37:50.994418Z",
"updated_at": "2022-09-04T14:37:50.994435Z",
"structure_string": "Li4 Fe2 O4 F2\n1.0\n2.598768 4.300299 -0.018663\n-2.598768 4.300299 0.018663\n-2.024105 0.000000 4.754756\nLi Fe O F\n4 2 4 2\ndirect\n0.253060 0.245517 0.746103 Li\n0.564416 0.598480 0.770447 Li\n0.401519 0.435585 0.270447 Li\n0.754483 0.746941 0.246103 Li\n0.931157 0.865572 0.746524 Fe\n0.134428 0.068844 0.246524 Fe\n0.152082 0.706455 0.493969 O\n0.293546 0.847917 0.993969 O\n0.004421 0.484852 0.006258 O\n0.515149 -0.004422 0.506259 O\n0.663359 0.167612 0.986700 F\n0.832388 0.336642 0.486700 F\n",
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"formula_full": "Li4 Fe2 O4 F2",
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{
"id": "jvasp-26412",
"created_at": "2022-09-04T14:37:44.361206Z",
"updated_at": "2022-09-04T14:37:44.361233Z",
"structure_string": "Ba2 Bi2 Cl2 O4\n1.0\n0.000000 5.951502 0.000643\n5.772932 0.000000 0.000000\n0.000000 -2.975059 -6.514197\nBa Bi Cl O\n2 2 2 4\ndirect\n0.380169 0.250000 0.760328 Ba\n0.619831 0.750000 0.239673 Ba\n0.077262 0.250000 0.154533 Bi\n0.922737 0.750000 0.845468 Bi\n0.746321 0.250000 0.492630 Cl\n0.253678 0.750000 0.507370 Cl\n0.228387 0.500005 -0.000004 O\n0.771613 0.499995 0.000004 O\n0.228387 -0.000005 -0.000004 O\n0.771613 0.000005 0.000004 O\n",
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{
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"created_at": "2022-09-04T14:38:00.458537Z",
"updated_at": "2022-09-04T14:38:00.458558Z",
"structure_string": "K2 Tl1 Ag1 Cl6\n1.0\n6.421143 -0.000000 3.707249\n2.140381 6.053912 3.707249\n0.000000 -0.000000 7.414497\nK Tl Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500001 Ag\n0.748428 0.251571 0.251572 Cl\n0.251571 0.251571 0.748429 Cl\n0.251571 0.748428 0.748429 Cl\n0.251571 0.748428 0.251572 Cl\n0.748428 0.251571 0.748429 Cl\n0.748428 0.748428 0.251572 Cl\n",
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{
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"structure_string": "Li7 V1 O5 F1\n1.0\n4.947642 0.061414 0.787391\n-2.413202 4.350716 -0.925570\n0.770991 -3.491585 6.509564\nLi V O F\n7 1 5 1\ndirect\n0.212687 0.384888 0.452521 Li\n0.416688 0.578322 0.207364 Li\n0.265772 0.694868 -0.070968 Li\n0.928634 0.576430 0.200418 Li\n0.436783 0.056685 0.706522 Li\n0.956104 0.026441 0.640183 Li\n0.731330 0.323249 0.429282 Li\n0.845074 0.829988 -0.099221 V\n0.166400 0.746903 0.442280 O\n0.144353 0.267347 0.941475 O\n0.564399 0.726318 0.720825 O\n0.829705 0.878706 0.164491 O\n0.890594 0.406204 0.700036 O\n0.507076 0.253153 0.212290 F\n",
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{
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"created_at": "2022-09-04T14:38:00.248048Z",
"updated_at": "2022-09-04T14:38:00.248076Z",
"structure_string": "Li4 Mn2 V2 O8\n1.0\n5.993303 -0.427543 0.026304\n-0.061954 6.008215 0.026304\n-2.953064 -2.778469 4.045033\nLi Mn V O\n4 2 2 8\ndirect\n0.000000 0.500000 0.499999 Li\n0.500000 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000001 Li\n0.500000 0.500000 -0.000001 Li\n0.000000 0.500000 -0.000001 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.230144 0.769870 0.014401 O\n0.238029 0.244142 0.491147 O\n0.230130 0.769855 0.485596 O\n0.755857 0.761971 0.008850 O\n0.244142 0.238029 -0.008852 O\n0.769869 0.230144 0.514401 O\n0.761970 0.755858 0.508850 O\n0.769855 0.230130 0.985596 O\n",
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{
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"created_at": "2022-09-04T14:38:03.428647Z",
"updated_at": "2022-09-04T14:38:03.428665Z",
"structure_string": "Ca1 H12 Br2 O6\n1.0\n4.049593 -7.014101 0.000000\n4.049593 7.014101 -0.000000\n-0.000000 0.000000 3.942197\nCa H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.111000 0.774930 0.528899 H\n0.225069 0.336071 0.528899 H\n0.774930 0.111000 0.471102 H\n0.888999 0.663928 0.471102 H\n0.336071 0.225069 0.471102 H\n0.663928 0.888999 0.528899 H\n0.575254 0.672868 0.101131 H\n0.097613 0.424745 0.101131 H\n0.424745 0.097613 0.898870 H\n0.902386 0.327131 0.898870 H\n0.672868 0.575254 0.898870 H\n0.327131 0.902386 0.101131 H\n0.666667 0.333333 0.562871 Br\n0.333333 0.666667 0.437130 Br\n0.206456 0.206456 0.500000 O\n-0.000000 0.302999 0.000000 O\n0.697000 0.697000 0.000000 O\n0.302999 -0.000000 0.000000 O\n-0.000000 0.793543 0.500000 O\n0.793543 -0.000000 0.500000 O\n",
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]
}