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{
"id": "jvasp-46396",
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"structure_string": "Na4 Mn4 O6\n1.0\n0.000000 5.691439 0.056448\n6.299065 0.000000 0.000000\n0.000000 -2.691217 -5.527442\nNa Mn O\n4 4 6\ndirect\n0.064780 0.362670 0.758451 Na\n0.564780 0.137330 0.758451 Na\n0.435219 0.862670 0.241549 Na\n0.935219 0.637331 0.241548 Na\n0.480320 0.621182 0.697986 Mn\n0.019679 0.121182 0.302013 Mn\n0.980320 0.878819 0.697986 Mn\n0.519679 0.378818 0.302013 Mn\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.241668 0.879108 0.552817 O\n0.258331 0.379108 0.447182 O\n0.741668 0.620893 0.552817 O\n0.758331 0.120893 0.447182 O\n",
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"structure_string": "K1 V1 F3\n1.0\n4.143151 0.000000 -0.000000\n0.000000 4.143151 -0.000000\n0.000000 0.000000 4.143151\nK V F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:36:36.933317Z",
"structure_string": "Ca4 Al4 O10\n1.0\n4.986001 -0.000000 -1.687904\n-0.610526 5.101164 -1.803472\n-0.016642 -0.023367 8.159015\nCa Al O\n4 4 10\ndirect\n0.396707 0.867806 0.785251 Ca\n0.896710 0.417443 0.785252 Ca\n0.111458 0.582556 0.214748 Ca\n0.611458 0.132193 0.214749 Ca\n0.295632 0.176424 0.500000 Al\n0.795631 0.823575 0.500000 Al\n0.496895 0.500000 0.000000 Al\n0.996895 0.000000 0.000000 Al\n0.121794 0.198957 0.282150 O\n0.737143 0.241676 0.978166 O\n0.621791 0.583193 0.282148 O\n0.633049 0.114132 0.500000 O\n0.133048 0.885867 0.499999 O\n0.258977 0.763511 0.021834 O\n0.237143 0.236488 0.978165 O\n0.758976 0.758323 0.021834 O\n0.339644 0.416805 0.717852 O\n0.839643 0.801042 0.717849 O\n",
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"formula_full": "Ca4 Al4 O10",
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{
"id": "jvasp-57626",
"created_at": "2022-09-04T14:37:16.214085Z",
"updated_at": "2022-09-04T14:37:16.214114Z",
"structure_string": "K2 Cr2 F6\n1.0\n5.084316 -0.000915 -2.944736\n-1.690189 4.795373 -2.944376\n0.000863 0.000725 5.875433\nK Cr F\n2 2 6\ndirect\n0.749978 0.749977 -0.000001 K\n0.250022 0.250024 -0.000000 K\n-0.000000 0.500000 0.499999 Cr\n0.500000 0.000001 0.500000 Cr\n0.250024 0.750023 0.499997 F\n0.749976 0.249979 0.500002 F\n0.259863 0.259879 0.519742 F\n0.740137 0.740122 0.480257 F\n0.759872 0.240183 0.000053 F\n0.240128 0.759818 0.999946 F\n",
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{
"id": "jvasp-118368",
"created_at": "2022-09-04T14:38:53.651893Z",
"updated_at": "2022-09-04T14:38:53.651920Z",
"structure_string": "Mg1 Fe1 S1\n1.0\n2.722559 0.000000 -0.000000\n0.000000 2.722559 0.000000\n-0.000000 -0.000000 7.323444\nMg Fe S\n1 1 1\ndirect\n0.000000 0.000000 0.654856 Mg\n0.000000 0.000000 0.288265 Fe\n0.000000 0.000000 0.014566 S\n",
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{
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"created_at": "2022-09-04T14:37:01.415589Z",
"updated_at": "2022-09-04T14:37:01.415607Z",
"structure_string": "Al2 Cu2 S4\n1.0\n4.852601 0.000000 -2.207014\n-1.003773 4.747649 -2.207014\n0.016943 0.020900 6.475510\nAl Cu S\n2 2 4\ndirect\n0.500000 0.500000 0.000001 Al\n0.750000 0.250000 0.500001 Al\n0.250000 0.750000 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.866695 0.875000 0.250001 S\n0.624999 0.133305 0.750000 S\n0.383305 0.375000 0.250001 S\n0.125000 0.616695 0.750001 S\n",
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{
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"created_at": "2022-09-04T14:37:17.018495Z",
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"structure_string": "Al2 Cu2 S4\n1.0\n4.852714 -0.000000 -2.207066\n-1.003796 4.747760 -2.207066\n0.016952 0.020911 6.475679\nAl Cu S\n2 2 4\ndirect\n0.499999 0.500000 -0.000001 Al\n0.749999 0.250000 0.499999 Al\n0.249999 0.750000 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.866688 0.875000 0.249998 S\n0.624999 0.133311 0.749999 S\n0.383310 0.375000 0.249999 S\n0.124999 0.616689 0.749999 S\n",
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"spacegroup": 122
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{
"id": "jvasp-112438",
"created_at": "2022-09-04T14:38:40.109377Z",
"updated_at": "2022-09-04T14:38:40.109409Z",
"structure_string": "Li2 V2 F8\n1.0\n4.499587 0.830630 0.000000\n-0.776794 4.509193 0.000000\n0.000000 0.000000 6.188242\nLi V F\n2 2 8\ndirect\n0.500024 0.499976 0.750000 Li\n0.499977 0.500023 0.250000 Li\n0.000000 0.000000 0.000000 V\n-0.000000 -0.000000 0.500000 V\n0.193157 0.193104 0.250000 F\n0.193104 0.193157 0.750000 F\n0.294330 0.705670 0.500015 F\n0.294330 0.705670 -0.000016 F\n0.705672 0.294329 0.000016 F\n0.705672 0.294329 0.499984 F\n0.806897 0.806842 0.250000 F\n0.806844 0.806896 0.750000 F\n",
"nsites": 12,
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"elements": [
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"density": 3.4320012573002208,
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"volume": 129.5492039323001,
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{
"id": "jvasp-103153",
"created_at": "2022-09-04T14:37:07.622009Z",
"updated_at": "2022-09-04T14:37:07.622038Z",
"structure_string": "Li4 Mn2 O4\n1.0\n4.269628 0.253098 2.010545\n0.989864 4.597696 0.466096\n0.194394 0.126608 5.125849\nLi Mn O\n4 2 4\ndirect\n0.948395 0.250001 0.603214 Li\n0.448394 0.750001 0.603215 Li\n0.551604 0.250001 0.396788 Li\n0.051603 0.750001 0.396788 Li\n0.749999 0.750001 0.000001 Mn\n0.250000 0.250000 0.000001 Mn\n0.145053 0.500001 0.709901 O\n0.645050 0.000005 0.709901 O\n0.354946 -0.000000 0.290101 O\n0.854949 0.499996 0.290102 O\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:36:48.779217Z",
"updated_at": "2022-09-04T14:36:48.779248Z",
"structure_string": "Mn1 C1 N2\n1.0\n3.165868 0.015423 4.095450\n1.409329 2.834916 4.095450\n0.024756 0.015423 5.176371\nMn C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.499999 C\n0.414331 0.414329 0.414329 N\n0.585672 0.585670 0.585669 N\n",
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{
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"created_at": "2022-09-04T14:37:20.128613Z",
"updated_at": "2022-09-04T14:37:20.128630Z",
"structure_string": "Mg2 Cr4 O10\n1.0\n3.642537 -0.000000 0.000000\n-1.821268 4.972640 -0.000000\n0.000000 0.000000 11.128964\nMg Cr O\n2 4 10\ndirect\n0.898705 0.797409 0.750000 Mg\n0.101296 0.202592 0.250000 Mg\n0.210000 0.420001 0.596581 Cr\n0.790001 0.580000 0.403417 Cr\n0.790001 0.580000 0.096583 Cr\n0.210000 0.420001 0.903418 Cr\n0.697285 0.394568 0.250000 O\n0.302716 0.605433 0.750000 O\n0.229995 0.459988 0.077164 O\n0.770008 0.540013 0.922836 O\n0.770008 0.540013 0.577163 O\n0.229995 0.459988 0.422835 O\n0.047374 0.094748 0.629142 O\n0.952626 0.905251 0.370857 O\n0.047374 0.094748 0.870857 O\n0.952626 0.905251 0.129143 O\n",
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{
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"created_at": "2022-09-04T14:38:40.492559Z",
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