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{
"id": "jvasp-50155",
"created_at": "2022-09-04T14:37:13.565651Z",
"updated_at": "2022-09-04T14:37:13.565679Z",
"structure_string": "Cd2 Ag4 O8\n1.0\n-6.892728 0.000000 0.000000\n-3.446364 0.000000 6.303271\n3.446364 4.839070 0.000000\nCd Ag O\n2 4 8\ndirect\n0.875000 0.250000 0.250000 Cd\n0.125000 0.750000 0.750000 Cd\n0.496125 0.007752 0.250000 Ag\n0.746125 0.507752 0.750000 Ag\n0.253875 0.492248 0.250000 Ag\n0.503876 0.992248 0.750000 Ag\n0.917768 0.505573 0.163845 O\n0.740505 0.005573 0.663845 O\n0.746076 0.994427 0.163845 O\n0.576660 0.505573 0.336155 O\n0.253925 0.005573 0.836155 O\n0.423340 0.494427 0.663845 O\n0.259496 0.994427 0.336155 O\n0.082232 0.494427 0.836155 O\n",
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{
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"structure_string": "Fe4 Ge2 O8\n1.0\n5.162961 -0.000000 2.980837\n1.720987 4.867685 2.980837\n0.000000 -0.000000 5.961674\nFe Ge O\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.875000 0.875001 0.875000 Ge\n0.125000 0.125000 0.125000 Ge\n0.751211 0.751211 0.751210 O\n0.248789 0.248790 0.753631 O\n0.248790 0.753632 0.248789 O\n0.753632 0.248790 0.248790 O\n0.751211 0.246368 0.751211 O\n0.246368 0.751211 0.751210 O\n0.248789 0.248790 0.248789 O\n0.751211 0.751211 0.246368 O\n",
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{
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"created_at": "2022-09-04T14:37:30.704806Z",
"updated_at": "2022-09-04T14:37:30.704818Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n6.153307 -0.045731 -0.028641\n3.037049 5.351785 -0.028641\n3.040067 1.755184 4.964409\nCa Cr O\n2 4 8\ndirect\n0.125001 0.624999 0.625000 Ca\n0.625001 0.124999 0.625000 Ca\n0.994412 0.994410 0.005589 Cr\n0.255589 0.255588 0.244411 Cr\n0.625001 0.624999 0.125000 Cr\n0.625001 0.624999 0.625000 Cr\n0.394284 0.394282 0.340331 O\n0.409579 0.864554 0.362933 O\n0.394284 0.394282 0.871104 O\n0.864556 0.409578 0.362933 O\n0.385447 0.840420 0.887067 O\n0.840423 0.385444 0.887067 O\n0.855718 0.855716 0.378897 O\n0.855719 0.855716 0.909670 O\n",
"nsites": 14,
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"volume": 164.79994005361647,
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{
"id": "jvasp-11333",
"created_at": "2022-09-04T14:37:13.463053Z",
"updated_at": "2022-09-04T14:37:13.463074Z",
"structure_string": "Mn2 Zn2 F10\n1.0\n5.132387 -0.026581 -0.034404\n-1.847515 5.095459 -0.076398\n-2.164922 -2.305402 6.904179\nMn Zn F\n2 2 10\ndirect\n0.997014 -0.000607 -0.000814 Mn\n0.496996 -0.000619 0.499175 Mn\n0.791300 0.518250 0.259274 Zn\n0.202698 0.480515 0.739084 Zn\n0.885317 0.165092 0.768657 F\n0.108641 0.833665 0.229678 F\n0.338222 0.215685 0.615690 F\n0.001103 0.713256 0.824718 F\n0.595426 0.759211 0.953407 F\n0.260308 0.693648 0.549230 F\n0.398570 0.239585 0.044922 F\n0.733622 0.305113 0.449099 F\n0.992899 0.285520 0.173647 F\n0.655763 0.783082 0.382655 F\n",
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{
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"created_at": "2022-09-04T14:37:12.877075Z",
"updated_at": "2022-09-04T14:37:12.877099Z",
"structure_string": "Mo4 O10\n1.0\n11.905961 0.000000 0.000000\n0.000000 5.021031 -1.909114\n0.000000 -0.000000 3.818229\nMo O\n4 10\ndirect\n0.149430 0.882177 0.941089 Mo\n0.350570 0.117823 0.558913 Mo\n0.649429 0.117823 0.558913 Mo\n0.850570 0.882177 0.941089 Mo\n0.000000 -0.000737 -0.000367 O\n0.134267 0.549728 0.774865 O\n0.186012 0.978029 0.489015 O\n0.313988 0.021969 0.010985 O\n0.365733 0.450272 0.725137 O\n0.500000 0.000737 0.500367 O\n0.634267 0.450272 0.725137 O\n0.865733 0.549728 0.774865 O\n0.686012 0.021969 0.010985 O\n0.813988 0.978029 0.489015 O\n",
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"volume": 228.2544904624219,
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"spacegroup": 63
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{
"id": "jvasp-10478",
"created_at": "2022-09-04T14:37:13.444793Z",
"updated_at": "2022-09-04T14:37:13.444813Z",
"structure_string": "K1 Li6 Ta1 O6\n1.0\n5.222864 0.002401 -1.031268\n-1.255257 5.069778 -1.031268\n0.001878 0.002401 5.323703\nK Li Ta O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.344323 -0.000000 0.655676 Li\n-0.000000 0.655677 0.344323 Li\n0.344322 0.655677 -0.000000 Li\n0.000000 0.344323 0.655676 Li\n0.655677 -0.000000 0.344322 Li\n0.655676 0.344323 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.272672 0.914734 0.272672 O\n0.272673 0.272672 0.914733 O\n0.727327 0.085266 0.727327 O\n0.727327 0.727328 0.085266 O\n0.085266 0.727328 0.727327 O\n0.914733 0.272672 0.272672 O\n",
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"density_atomic": 0.09928588009424547,
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"formula_full": "K1 Li6 Ta1 O6",
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"spacegroup": 166
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{
"id": "jvasp-10653",
"created_at": "2022-09-04T14:37:06.712297Z",
"updated_at": "2022-09-04T14:37:06.712321Z",
"structure_string": "Zn2 Ni4 O8\n1.0\n5.857323 -0.023834 -0.016853\n2.908021 5.036840 -0.000000\n2.908021 1.678947 4.748778\nZn Ni O\n2 4 8\ndirect\n0.981613 0.006130 0.006130 Zn\n0.126092 0.624636 0.624636 Zn\n0.255337 0.248222 0.248222 Ni\n0.624862 0.124727 0.625206 Ni\n0.624862 0.625206 0.124727 Ni\n0.624862 0.625206 0.625206 Ni\n0.410477 0.373817 0.373817 O\n0.410476 0.373817 0.841890 O\n0.410477 0.841890 0.373817 O\n0.859356 0.380215 0.380215 O\n0.399406 0.866865 0.866865 O\n0.840722 0.415935 0.871672 O\n0.840723 0.871671 0.415935 O\n0.840722 0.871672 0.871672 O\n",
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{
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"created_at": "2022-09-04T14:37:08.641207Z",
"updated_at": "2022-09-04T14:37:08.641225Z",
"structure_string": "Mg2 Fe4 O8\n1.0\n5.703620 -0.035611 0.012754\n2.729601 5.008272 0.011585\n2.848851 1.681242 4.642794\nMg Fe O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.499999 Fe\n0.000000 -0.000000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.287264 0.226429 0.743137 O\n0.742149 0.242159 0.271561 O\n0.726431 0.787260 0.743175 O\n0.257836 0.757850 0.255873 O\n0.273569 0.212740 0.256824 O\n0.257852 0.757840 0.728438 O\n0.742165 0.242150 0.744126 O\n0.712736 0.773570 0.256862 O\n",
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{
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"created_at": "2022-09-04T14:37:30.748845Z",
"updated_at": "2022-09-04T14:37:30.748873Z",
"structure_string": "Li4 V2 Cl8\n1.0\n6.346687 -0.037162 3.621922\n2.085822 5.899594 3.612749\n-0.036667 -0.037162 7.307354\nLi V Cl\n4 2 8\ndirect\n0.015559 0.984440 0.015559 Li\n0.234445 0.265555 0.234445 Li\n0.625008 0.125000 0.625008 Li\n0.625008 0.624984 0.625008 Li\n0.124994 0.625004 0.624998 V\n0.624998 0.625004 0.124995 V\n0.375641 0.389490 0.375641 Cl\n0.375641 0.859228 0.375641 Cl\n0.378864 0.386033 0.849070 Cl\n0.849070 0.386033 0.378864 Cl\n0.400930 0.863971 0.871127 Cl\n0.874356 0.390774 0.874356 Cl\n0.871127 0.863971 0.400930 Cl\n0.874356 0.860514 0.874356 Cl\n",
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"structure_string": "Ba2 Ti3 Al1 O8\n1.0\n3.958149 -0.000000 -0.000000\n0.000000 3.958149 -0.000000\n0.000000 0.000000 11.306076\nBa Ti Al O\n2 3 1 8\ndirect\n0.500000 0.500000 0.824375 Ba\n0.500000 0.500000 0.175635 Ba\n0.000000 0.000000 0.639226 Ti\n0.000000 0.000000 0.000003 Ti\n0.000000 0.000000 0.360778 Ti\n0.500000 0.500000 0.500006 Al\n0.500000 0.000000 0.615839 O\n0.000000 0.500000 0.615839 O\n0.000000 0.500000 0.000003 O\n0.000000 0.000000 0.812743 O\n0.500000 0.000000 0.384152 O\n0.000000 0.500000 0.384152 O\n0.000000 0.000000 0.187251 O\n0.500000 0.000000 0.000003 O\n",
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{
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"updated_at": "2022-09-04T14:37:06.003049Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n-2.751601 4.814609 2.648142\n2.647675 -4.814609 2.751431\n2.751601 4.814609 -2.648142\nZn Cu O\n2 4 8\ndirect\n0.874982 0.749999 0.624981 Zn\n0.125018 0.250000 0.375018 Zn\n0.500000 -0.000000 0.000000 Cu\n0.500000 0.499999 -0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.499999 -0.000001 Cu\n0.835005 0.715506 0.214166 O\n0.501340 0.215507 0.380502 O\n0.714177 0.879178 -0.001329 O\n0.880506 0.379178 0.665001 O\n0.119494 0.620821 0.334998 O\n0.285822 0.120821 0.001328 O\n0.498660 0.784492 0.619497 O\n0.164995 0.284493 0.785833 O\n",
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{
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"created_at": "2022-09-04T14:37:31.026984Z",
"updated_at": "2022-09-04T14:37:31.027011Z",
"structure_string": "Al12 Ru2\n1.0\n4.997211 0.010361 0.000000\n-0.650286 4.954731 -0.000000\n0.000000 -0.000000 9.084753\nAl Ru\n12 2\ndirect\n0.319141 0.680858 0.000000 Al\n0.680858 0.319142 0.500000 Al\n0.680858 0.319142 0.000000 Al\n0.319141 0.680858 0.500000 Al\n0.139769 0.139769 0.100021 Al\n0.860230 0.860230 0.600020 Al\n0.139769 0.139769 0.399979 Al\n0.860230 0.860230 0.899979 Al\n0.616788 0.976534 0.250000 Al\n0.383211 0.023466 0.750000 Al\n0.976533 0.616789 0.250000 Al\n0.023466 0.383211 0.750000 Al\n0.462175 0.462175 0.250000 Ru\n0.537824 0.537824 0.750000 Ru\n",
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]
}