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{
"id": "jvasp-59225",
"created_at": "2022-09-04T14:38:35.848033Z",
"updated_at": "2022-09-04T14:38:35.848055Z",
"structure_string": "Li6 V2 P4 O16\n1.0\n0.000000 6.135118 0.012766\n5.424656 0.000000 0.000000\n0.000000 -0.064561 -8.178404\nLi V P O\n6 2 4 16\ndirect\n0.729308 0.750001 0.922234 Li\n0.500009 0.250000 0.749992 Li\n0.270666 0.750001 0.577768 Li\n0.729334 0.250000 0.422231 Li\n0.499991 0.750001 0.250007 Li\n0.270693 0.250000 0.077765 Li\n0.000001 0.250000 0.750001 V\n1.000000 0.750001 0.249998 V\n0.761655 0.250000 0.100667 P\n0.238361 0.250000 0.399332 P\n0.761639 0.750001 0.600668 P\n0.238346 0.750001 0.899332 P\n0.768751 0.479602 0.218732 O\n0.768751 0.020398 0.218732 O\n0.231254 0.479605 0.281267 O\n0.231254 0.020396 0.281267 O\n0.969136 0.750001 0.492866 O\n0.030845 0.750001 0.007128 O\n0.442185 0.250000 0.504200 O\n0.557838 0.250000 0.995789 O\n0.768746 0.979605 0.718732 O\n0.969156 0.250000 0.992872 O\n0.231249 0.979603 0.781267 O\n0.231249 0.520398 0.781267 O\n0.442163 0.750001 0.004210 O\n0.768746 0.520396 0.718732 O\n0.030864 0.250000 0.507133 O\n0.557816 0.750001 0.495799 O\n",
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{
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"created_at": "2022-09-04T14:36:43.914964Z",
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"structure_string": "K2 Rb1 In1 Br6\n1.0\n7.126804 0.000000 4.114662\n2.375601 6.719215 4.114662\n-0.000000 0.000000 8.229325\nK Rb In Br\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.769844 0.230156 0.230155 Br\n0.230155 0.230155 0.769844 Br\n0.230155 0.769845 0.769844 Br\n0.230155 0.769845 0.230156 Br\n0.769844 0.230156 0.769844 Br\n0.769844 0.769845 0.230155 Br\n",
"nsites": 10,
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"volume": 394.07380482218906,
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"formula_full": "K2 Rb1 In1 Br6",
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{
"id": "jvasp-44355",
"created_at": "2022-09-04T14:38:06.344895Z",
"updated_at": "2022-09-04T14:38:06.344922Z",
"structure_string": "Li6 Mn2 Al4 O12\n1.0\n5.245438 0.006461 -0.023450\n-0.063217 -5.849733 -0.018561\n-1.383712 -0.017504 -7.642574\nLi Mn Al O\n6 2 4 12\ndirect\n0.164753 0.835406 0.082481 Li\n-0.002565 0.660380 0.756978 Li\n0.328914 0.654203 0.401113 Li\n0.671087 0.345796 0.598887 Li\n0.002565 0.339619 0.243022 Li\n0.835247 0.164593 0.917519 Li\n0.504860 0.829136 0.738988 Mn\n0.495140 0.170863 0.261011 Mn\n0.328485 0.332700 0.915239 Al\n0.159259 0.176193 0.582383 Al\n0.840741 0.823806 0.417617 Al\n0.671515 0.667299 0.084761 Al\n0.474665 0.170057 0.757607 O\n0.171152 0.860133 0.577592 O\n0.525335 0.829942 0.242392 O\n0.801330 0.822131 0.914391 O\n0.679475 0.680196 0.573675 O\n0.975458 0.677036 0.251463 O\n0.345720 0.647377 0.921256 O\n0.654280 0.352622 0.078743 O\n0.024542 0.322963 0.748536 O\n0.320525 0.319803 0.426325 O\n0.198670 0.177868 0.085608 O\n0.828848 0.139866 0.422407 O\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Al-Li-Mn-O",
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"density_atomic": 0.10226124574153787,
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"formula_full": "Li6 Mn2 Al4 O12",
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"formula_anonymous": "AB2C3D6",
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{
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"created_at": "2022-09-04T14:35:51.112624Z",
"updated_at": "2022-09-04T14:35:51.112663Z",
"structure_string": "Li1 Be2 Ga1\n1.0\n2.578393 -0.000000 -0.000000\n0.000000 2.578393 0.000000\n0.000000 0.000000 7.403870\nLi Be Ga\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.758603 Be\n0.000000 0.000000 0.241397 Be\n0.499999 0.499999 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-108839",
"created_at": "2022-09-04T14:38:18.791906Z",
"updated_at": "2022-09-04T14:38:18.791930Z",
"structure_string": "Sc1 H1 O2\n1.0\n3.040286 0.000696 3.820635\n1.335133 2.731439 3.820635\n0.001115 0.000696 4.882682\nSc H O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500002 0.500000 H\n0.410233 0.410235 0.410234 O\n0.589765 0.589768 0.589767 O\n",
"nsites": 4,
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{
"id": "jvasp-104534",
"created_at": "2022-09-04T14:36:45.762281Z",
"updated_at": "2022-09-04T14:36:45.762302Z",
"structure_string": "Rb2 Na1 Dy1 Cl6\n1.0\n6.477300 -0.000000 3.739671\n2.159100 6.106857 3.739671\n-0.000000 -0.000000 7.479341\nRb Na Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Dy\n0.752845 0.247155 0.247155 Cl\n0.247155 0.247155 0.752845 Cl\n0.247155 0.752846 0.752845 Cl\n0.247155 0.752846 0.247155 Cl\n0.752845 0.247155 0.752845 Cl\n0.752845 0.752846 0.247155 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 295.8524000811744,
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"formula_full": "Rb2 Na1 Dy1 Cl6",
"formula_reduced": "Rb2NaDyCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-50442",
"created_at": "2022-09-04T14:37:18.105482Z",
"updated_at": "2022-09-04T14:37:18.105492Z",
"structure_string": "K4 Sr4 O6\n1.0\n0.000000 7.067478 0.017058\n7.113789 0.000000 0.000000\n0.000000 -3.426015 -6.241302\nK Sr O\n4 4 6\ndirect\n0.902783 0.345334 0.115886 K\n0.402783 0.154666 0.115887 K\n0.597216 0.845334 0.884113 K\n0.097216 0.654666 0.884113 K\n0.581334 0.621865 0.341345 Sr\n0.918665 0.121865 0.658654 Sr\n0.081334 0.878135 0.341345 Sr\n0.418665 0.378135 0.658654 Sr\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.736481 0.923099 0.342472 O\n0.763518 0.423099 0.657527 O\n0.236481 0.576901 0.342473 O\n0.263518 0.076901 0.657527 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.1945347093753904,
"density_atomic": 0.04467485632862814,
"volume": 313.3753782444432,
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"formula_full": "K4 Sr4 O6",
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{
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"created_at": "2022-09-04T14:36:04.560426Z",
"updated_at": "2022-09-04T14:36:04.560448Z",
"structure_string": "Zr1 Fe1 F6\n1.0\n4.995277 -0.000000 2.884025\n1.665092 4.709592 2.884025\n-0.000000 -0.000000 5.768049\nZr Fe F\n1 1 6\ndirect\n0.500000 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Fe\n0.251357 0.748643 0.748643 F\n0.251357 0.748643 0.251356 F\n0.748644 0.251357 0.251356 F\n0.748644 0.748643 0.251356 F\n0.251357 0.251357 0.748643 F\n0.748644 0.251357 0.748642 F\n",
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{
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"created_at": "2022-09-04T14:35:57.380810Z",
"updated_at": "2022-09-04T14:35:57.380819Z",
"structure_string": "Ba1 Mg6 Mo1\n1.0\n6.672171 -1.787915 0.000000\n-4.884464 8.460141 0.000000\n0.000000 0.000000 4.129627\nBa Mg Mo\n1 6 1\ndirect\n0.250044 0.375022 0.250000 Ba\n0.749979 0.374961 0.250000 Mg\n0.749979 0.875016 0.250000 Mg\n0.249982 0.083050 0.750000 Mg\n0.249982 0.666934 0.750000 Mg\n0.666138 0.083068 0.750000 Mg\n0.833871 0.666935 0.750000 Mg\n0.250023 0.875011 0.250000 Mo\n",
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{
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"created_at": "2022-09-04T14:38:52.558899Z",
"updated_at": "2022-09-04T14:38:52.558933Z",
"structure_string": "Al2 As1\n1.0\n5.025771 -0.048827 0.340629\n3.525529 -3.579607 0.312439\n0.252826 -0.077600 -3.740801\nAl As\n2 1\ndirect\n0.447384 0.376780 0.335778 Al\n0.171140 0.101281 0.335981 Al\n0.984534 -0.085602 -0.164053 As\n",
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{
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"created_at": "2022-09-04T14:37:18.819137Z",
"updated_at": "2022-09-04T14:37:18.819164Z",
"structure_string": "Zn2 Cr2 S2 F10\n1.0\n5.970665 -1.105257 0.080465\n0.614326 6.799544 1.162688\n1.889676 2.109252 6.592397\nZn Cr S F\n2 2 2 10\ndirect\n0.527563 0.347278 0.859624 Zn\n0.127411 -0.012986 0.475416 Zn\n0.043869 0.479792 0.454361 Cr\n0.029557 0.462118 -0.030769 Cr\n0.341154 0.045320 0.843124 S\n0.461595 0.144291 0.532629 S\n0.115158 0.192619 0.160724 F\n-0.073368 0.172191 0.555780 F\n0.955129 0.729019 0.772441 F\n0.187004 0.781215 0.359007 F\n0.339679 0.444040 0.344439 F\n0.706463 0.312541 0.065522 F\n0.749018 0.529373 0.560714 F\n0.358873 0.582249 0.855790 F\n0.982112 0.563906 0.178894 F\n0.080800 0.376260 0.745185 F\n",
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{
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"structure_string": "Li6 Cr2 P4 O16\n1.0\n5.073254 0.011147 0.648598\n2.908783 4.156562 0.648598\n0.079387 0.041451 12.985127\nLi Cr P O\n6 2 4 16\ndirect\n0.630933 0.702756 0.348810 Li\n0.054999 0.945001 0.750000 Li\n0.945001 0.054999 0.250000 Li\n0.702756 0.630934 0.848810 Li\n0.297244 0.369067 0.151191 Li\n0.369066 0.297244 0.651191 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 -0.000000 0.500000 Cr\n0.363218 0.317969 0.887346 P\n0.636781 0.682031 0.112655 P\n0.317969 0.363218 0.387346 P\n0.682031 0.636782 0.612655 P\n0.182173 0.498816 0.788516 O\n0.972207 0.662540 0.583742 O\n0.498816 0.182173 0.288516 O\n0.662539 0.972208 0.083742 O\n0.337460 0.027792 0.916258 O\n0.817826 0.501184 0.211484 O\n0.027792 0.337460 0.416258 O\n0.733954 0.175636 0.869299 O\n0.451525 0.776670 0.524858 O\n0.824364 0.266046 0.630701 O\n0.776669 0.451526 0.024858 O\n0.266046 0.824364 0.130701 O\n0.548474 0.223330 0.475143 O\n0.501184 0.817827 0.711484 O\n0.175636 0.733954 0.369299 O\n0.223330 0.548474 0.975143 O\n",
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],
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"formula_full": "Li6 Cr2 P4 O16",
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]
}