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{
"id": "jvasp-53524",
"created_at": "2022-09-04T14:38:33.610836Z",
"updated_at": "2022-09-04T14:38:33.610860Z",
"structure_string": "Cd2 In4 O8\n1.0\n5.718877 -0.017216 3.220858\n1.890061 5.397547 3.220858\n-0.000000 -0.000000 6.441715\nCd In O\n2 4 8\ndirect\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625001 Cd\n0.009399 0.009399 0.990602 In\n0.240601 0.240601 0.259399 In\n0.125000 0.625000 0.625001 In\n0.625000 0.125000 0.625001 In\n0.373243 0.373243 0.394448 O\n0.373243 0.373243 0.859067 O\n0.362777 0.853887 0.391669 O\n0.853887 0.362777 0.391669 O\n0.396113 0.887223 0.858333 O\n0.887223 0.396113 0.858333 O\n0.876757 0.876757 0.390934 O\n0.876757 0.876757 0.855553 O\n",
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{
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"structure_string": "Tb2 Mo2 Cl2 O8\n1.0\n6.114687 0.002204 1.510404\n1.780334 5.849772 1.510404\n0.012631 0.009363 6.866626\nTb Mo Cl O\n2 2 2 8\ndirect\n0.221773 0.221772 0.890793 Tb\n0.778227 0.778227 0.109208 Tb\n0.362515 0.362514 0.269681 Mo\n0.637485 0.637484 0.730318 Mo\n0.009247 0.009247 0.238323 Cl\n0.990753 0.990752 0.761676 Cl\n0.294499 0.294498 0.535222 O\n0.509995 0.888366 0.846687 O\n0.705501 0.705500 0.464778 O\n0.458477 0.458477 0.797477 O\n0.111633 0.490004 0.153312 O\n0.888367 0.509994 0.846687 O\n0.490005 0.111633 0.153312 O\n0.541523 0.541522 0.202523 O\n",
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{
"id": "jvasp-59699",
"created_at": "2022-09-04T14:38:33.638193Z",
"updated_at": "2022-09-04T14:38:33.638217Z",
"structure_string": "Mo6 Se8\n1.0\n6.731523 -0.016237 -0.201387\n-0.207016 6.728358 -0.201387\n-0.015783 -0.016237 6.734516\nMo Se\n6 8\ndirect\n0.585981 0.453772 0.772031 Mo\n0.453772 0.772031 0.585981 Mo\n0.772030 0.585981 0.453772 Mo\n0.414018 0.546228 0.227969 Mo\n0.546228 0.227969 0.414018 Mo\n0.227969 0.414018 0.546228 Mo\n0.873918 0.255903 0.618835 Se\n0.255904 0.618835 0.873919 Se\n0.618835 0.873919 0.255903 Se\n0.126081 0.744096 0.381165 Se\n0.744096 0.381164 0.126081 Se\n0.381165 0.126081 0.744096 Se\n0.214952 0.214952 0.214952 Se\n0.785048 0.785048 0.785048 Se\n",
"nsites": 14,
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"formula_full": "Mo6 Se8",
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{
"id": "jvasp-20115",
"created_at": "2022-09-04T14:38:33.641338Z",
"updated_at": "2022-09-04T14:38:33.641366Z",
"structure_string": "Ni6 S8\n1.0\n5.800999 -0.000000 3.349209\n1.933666 5.469235 3.349209\n0.000000 0.000000 6.698417\nNi S\n6 8\ndirect\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.125000 0.125000 0.125000 Ni\n0.875000 0.875001 0.875000 Ni\n0.741717 0.741718 0.741717 S\n0.258283 0.258283 0.725152 S\n0.258283 0.725152 0.258283 S\n0.725152 0.258283 0.258283 S\n0.741717 0.274848 0.741717 S\n0.274848 0.741718 0.741717 S\n0.258283 0.258283 0.258283 S\n0.741717 0.741718 0.274848 S\n",
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{
"id": "jvasp-44793",
"created_at": "2022-09-04T14:38:33.629570Z",
"updated_at": "2022-09-04T14:38:33.629599Z",
"structure_string": "Li2 Ti2 Ni2 O8\n1.0\n5.941530 -0.000000 0.000000\n2.970765 4.983092 -0.122557\n2.970765 1.545482 4.738956\nLi Ti Ni O\n2 2 2 8\ndirect\n0.118978 0.131022 0.131022 Li\n0.881024 0.868977 0.868978 Li\n0.500000 -0.000000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.000001 0.500000 0.500000 Ni\n0.500001 0.500000 0.500000 Ni\n0.268746 0.258511 0.258511 O\n0.257104 0.268675 0.717119 O\n0.257104 0.717118 0.268676 O\n0.714233 0.258511 0.258511 O\n0.285769 0.741488 0.741489 O\n0.742898 0.731324 0.282882 O\n0.742898 0.282881 0.731325 O\n0.731256 0.741488 0.741489 O\n",
"nsites": 14,
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{
"id": "jvasp-112877",
"created_at": "2022-09-04T14:38:44.763900Z",
"updated_at": "2022-09-04T14:38:44.763929Z",
"structure_string": "Mo2 P2 O10\n1.0\n4.845592 0.023861 1.851373\n-0.538906 4.815591 1.851373\n0.102825 0.115545 7.407643\nMo P O\n2 2 10\ndirect\n0.774744 0.274702 -0.023177 Mo\n0.274700 0.774744 0.476823 Mo\n0.411600 0.137909 0.726804 P\n0.137909 0.411601 0.226804 P\n0.587650 0.961798 0.226813 O\n0.961796 0.587650 0.726813 O\n0.119805 0.090841 0.905178 O\n0.090841 0.119806 0.405178 O\n0.436238 0.913320 0.634810 O\n0.913319 0.436239 0.134810 O\n0.636210 0.113215 0.818781 O\n0.113215 0.636211 0.318782 O\n0.458636 0.429720 0.548460 O\n0.429720 0.458637 0.048460 O\n",
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"spacegroup": 15
},
{
"id": "jvasp-56713",
"created_at": "2022-09-04T14:38:33.953119Z",
"updated_at": "2022-09-04T14:38:33.953136Z",
"structure_string": "Ti8 As6\n1.0\n6.285443 -0.000000 -2.222241\n-3.142723 5.443355 -2.222241\n-0.000000 -0.000000 6.666720\nTi As\n8 6\ndirect\n-0.000000 0.349752 0.500000 Ti\n0.500000 0.000000 0.349752 Ti\n0.849751 0.500000 -0.000000 Ti\n0.150248 0.150248 0.150248 Ti\n0.500000 0.000000 0.849752 Ti\n0.650248 0.650248 0.650248 Ti\n-0.000000 0.849751 0.500000 Ti\n0.349752 0.500000 -0.000000 Ti\n0.750000 0.874999 0.125000 As\n0.875000 0.125000 0.750000 As\n0.625000 0.375000 0.250000 As\n0.250000 0.624999 0.375000 As\n0.125000 0.749999 0.875000 As\n0.375000 0.250000 0.625000 As\n",
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{
"id": "jvasp-111839",
"created_at": "2022-09-04T14:38:39.099634Z",
"updated_at": "2022-09-04T14:38:39.099656Z",
"structure_string": "Tb4 Mg2 Se8\n1.0\n7.138753 -0.000000 4.121561\n2.379585 6.730481 4.121561\n0.000000 0.000000 8.243123\nTb Mg Se\n4 2 8\ndirect\n0.625000 0.125000 0.625000 Tb\n0.624999 0.625000 0.125000 Tb\n0.125000 0.625000 0.625000 Tb\n0.624999 0.625000 0.625000 Tb\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.378957 0.378958 0.378958 Se\n0.863127 0.378958 0.378958 Se\n0.378957 0.863127 0.378958 Se\n0.378957 0.378958 0.863127 Se\n0.871041 0.871042 0.386873 Se\n0.871041 0.386873 0.871042 Se\n0.386872 0.871042 0.871042 Se\n0.871041 0.871042 0.871042 Se\n",
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{
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"created_at": "2022-09-04T14:38:39.111455Z",
"updated_at": "2022-09-04T14:38:39.111481Z",
"structure_string": "Hf2 Cr2 Ag2 S8\n1.0\n6.450503 0.034247 -3.558295\n-2.171389 6.014021 -3.658996\n-0.026958 -0.034247 7.366799\nHf Cr Ag S\n2 2 2 8\ndirect\n0.750000 0.750112 0.000111 Hf\n0.250000 0.749888 0.499887 Hf\n0.249981 0.250000 0.499981 Cr\n0.250019 0.750000 0.000018 Cr\n0.862321 0.112321 0.749999 Ag\n0.637678 0.387679 0.249999 Ag\n0.469392 0.505359 0.963983 S\n0.487020 0.501681 0.514736 S\n0.041374 0.505408 0.536015 S\n0.486944 0.972284 0.985262 S\n0.030607 0.994591 0.035964 S\n0.012979 0.527715 0.014660 S\n0.458625 0.994641 0.464034 S\n0.013055 0.998319 0.485339 S\n",
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"structure_string": "Ho4 Mg2 S8\n1.0\n6.789615 -0.000000 3.919986\n2.263205 6.401311 3.919986\n-0.000000 0.000000 7.839973\nHo Mg S\n4 2 8\ndirect\n0.625001 0.125000 0.625000 Ho\n0.625001 0.625000 0.125000 Ho\n0.125001 0.625000 0.625000 Ho\n0.625001 0.625000 0.625000 Ho\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.379520 0.379519 0.379519 S\n0.861443 0.379519 0.379519 S\n0.379520 0.861442 0.379519 S\n0.379520 0.379519 0.861442 S\n0.870482 0.870481 0.388558 S\n0.870482 0.388557 0.870481 S\n0.388558 0.870481 0.870481 S\n0.870482 0.870481 0.870481 S\n",
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"structure_string": "Y4 Mg2 S8\n1.0\n6.513809 0.000040 0.000000\n-5.416674 3.617919 0.000000\n-0.000000 -0.000000 12.824237\nY Mg S\n4 2 8\ndirect\n0.381684 0.618317 0.784785 Y\n0.618317 0.381683 0.284784 Y\n0.138629 0.861372 0.582767 Y\n0.861372 0.138628 0.082767 Y\n0.125343 0.874658 0.946448 Mg\n0.874658 0.125342 0.446448 Mg\n0.790636 0.209365 0.635191 S\n0.209365 0.790635 0.135191 S\n0.487330 0.512671 0.995482 S\n0.512671 0.487329 0.495482 S\n0.760490 0.239511 0.895325 S\n0.239511 0.760489 0.395325 S\n0.037467 0.962534 0.768003 S\n0.962534 0.037466 0.268003 S\n",
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{
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"created_at": "2022-09-04T14:38:32.756920Z",
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]
}