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"structure_string": "Pr2 Mn3 Sb3 O14\n1.0\n6.334739 -0.026860 3.502028\n1.980434 6.017269 3.502028\n-0.016102 -0.011600 7.331903\nPr Mn Sb O\n2 3 3 14\ndirect\n0.500000 -0.000000 0.000000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.434873 0.818775 0.416866 O\n0.829485 0.414446 0.825117 O\n0.414446 0.829485 0.825117 O\n0.818775 0.434873 0.416866 O\n0.825509 0.825509 0.447443 O\n0.412079 0.412079 0.848401 O\n0.181225 0.565127 0.583134 O\n0.170515 0.585554 0.174883 O\n0.585554 0.170515 0.174883 O\n0.897471 0.897472 0.855593 O\n0.174491 0.174491 0.552557 O\n0.587921 0.587921 0.151599 O\n0.565127 0.181225 0.583134 O\n0.102528 0.102528 0.144407 O\n",
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{
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"structure_string": "As4 P4 O16\n1.0\n5.101343 -0.000000 0.000000\n-0.000000 7.161026 0.000000\n0.000000 0.000000 8.372498\nAs P O\n4 4 16\ndirect\n0.250000 0.702343 0.748920 As\n0.750000 0.297658 0.251080 As\n0.750000 0.202342 0.751080 As\n0.250000 0.797658 0.248920 As\n0.250000 0.318458 0.576236 P\n0.750000 0.681543 0.423764 P\n0.750000 0.818458 0.923764 P\n0.250000 0.181542 0.076236 P\n0.495273 0.313444 0.095058 O\n0.995272 0.686557 0.904943 O\n0.495273 0.186557 0.595058 O\n0.995272 0.813444 0.404943 O\n0.504727 0.686557 0.904943 O\n0.004727 0.313444 0.095058 O\n0.250000 0.054554 0.231002 O\n0.250000 0.083577 0.918960 O\n0.750000 0.554554 0.268998 O\n0.250000 0.445446 0.731002 O\n0.004727 0.186557 0.595058 O\n0.750000 0.916424 0.081041 O\n0.750000 0.583577 0.581041 O\n0.250000 0.416424 0.418960 O\n0.750000 0.945447 0.768998 O\n0.504727 0.813444 0.404943 O\n",
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{
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"structure_string": "Nb6 Co16 Ge7\n1.0\n6.975936 0.000000 4.027558\n2.325312 6.576974 4.027558\n-0.000000 -0.000000 8.055116\nNb Co Ge\n6 16 7\ndirect\n0.797886 0.797885 0.202115 Nb\n0.797886 0.202114 0.797886 Nb\n0.202115 0.202114 0.797886 Nb\n0.202115 0.797885 0.202115 Nb\n0.202115 0.797885 0.797886 Nb\n0.797886 0.202114 0.202115 Nb\n0.495007 0.834997 0.834999 Co\n0.142276 0.619241 0.619242 Co\n0.834998 0.834997 0.834999 Co\n0.380758 0.380758 0.380759 Co\n0.857725 0.380758 0.380759 Co\n0.619242 0.619241 0.619242 Co\n0.380758 0.857724 0.380759 Co\n0.165002 0.165002 0.165003 Co\n0.165002 0.504993 0.165003 Co\n0.834998 0.495007 0.834998 Co\n0.165002 0.165002 0.504993 Co\n0.834998 0.834997 0.495008 Co\n0.380758 0.380758 0.857725 Co\n0.504993 0.165002 0.165003 Co\n0.619242 0.142276 0.619242 Co\n0.619242 0.619241 0.142276 Co\n0.500000 0.500000 0.000000 Ge\n-0.000000 0.500000 0.500001 Ge\n0.500000 -0.000000 0.500000 Ge\n0.500000 0.500000 0.500001 Ge\n-0.000000 0.500000 0.000000 Ge\n0.500000 -0.000000 -0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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"structure_string": "Li4 Mn4 F14\n1.0\n-5.385291 -0.026045 0.074767\n-0.553200 -6.664258 -0.061646\n1.858149 2.665743 7.816549\nLi Mn F\n4 4 14\ndirect\n0.671477 0.250407 0.911087 Li\n0.136451 0.011525 0.740230 Li\n0.863549 0.988475 0.259770 Li\n0.328523 0.749593 0.088913 Li\n0.726472 0.726425 0.827859 Mn\n0.209350 0.469352 0.661509 Mn\n0.790650 0.530648 0.338491 Mn\n0.273528 0.273575 0.172141 Mn\n0.418839 0.563906 0.214622 F\n0.897588 0.803369 0.381246 F\n0.667057 0.248827 0.302031 F\n0.156143 0.003982 0.173137 F\n0.194028 0.401215 0.412910 F\n0.805972 0.598785 0.587090 F\n0.581160 0.436094 0.785378 F\n0.332943 0.751173 0.697969 F\n0.102412 0.196631 0.618754 F\n0.901020 0.400141 0.112572 F\n0.098980 0.599859 0.887428 F\n0.362266 0.173359 0.945581 F\n0.843856 0.996018 0.826863 F\n0.637734 0.826641 0.054419 F\n",
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"formula_full": "Li4 Mn4 F14",
"formula_reduced": "Li2Mn2F7",
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},
{
"id": "jvasp-35382",
"created_at": "2022-09-04T14:37:40.709093Z",
"updated_at": "2022-09-04T14:37:40.709118Z",
"structure_string": "Lu2 Cr2 C3\n1.0\n-0.000000 3.286608 0.000000\n0.025867 0.000000 5.438494\n4.983373 -1.643303 -1.505364\nLu Cr C\n2 2 3\ndirect\n0.608725 0.316123 0.217450 Lu\n0.391277 0.683877 0.782551 Lu\n0.845504 0.116714 0.691005 Cr\n0.154498 0.883286 0.308995 Cr\n0.280019 0.238043 0.560035 C\n0.719983 0.761958 0.439965 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Cr",
"C"
],
"chemical_system": "C-Cr-Lu",
"density": 9.120837724563296,
"density_atomic": 0.07847377634340291,
"volume": 89.20177320596693,
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"formula_full": "Lu2 Cr2 C3",
"formula_reduced": "Lu2Cr2C3",
"formula_anonymous": "A2B2C3",
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"spacegroup": 12
},
{
"id": "jvasp-9675",
"created_at": "2022-09-04T14:38:10.899363Z",
"updated_at": "2022-09-04T14:38:10.899388Z",
"structure_string": "Ag4 C2 O6\n1.0\n0.000000 3.175327 -0.052875\n9.687641 0.000000 0.000000\n0.000000 -0.517951 -4.962261\nAg C O\n4 2 6\ndirect\n0.760301 0.429474 0.799172 Ag\n0.239700 0.929474 0.200829 Ag\n0.239700 0.570526 0.200829 Ag\n0.760301 0.070526 0.799172 Ag\n0.187809 0.250000 0.283947 C\n0.812192 0.750000 0.716054 C\n0.717108 0.865505 0.596027 O\n0.282893 0.365505 0.403974 O\n0.992914 0.250000 0.041770 O\n0.007087 0.750000 0.958231 O\n0.717108 0.634495 0.596027 O\n0.282893 0.134495 0.403974 O\n",
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"elements": [
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],
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"formula_full": "Ag4 C2 O6",
"formula_reduced": "Ag2CO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 11
}
]
}