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{
"id": "jvasp-30329",
"created_at": "2022-09-04T14:37:58.705753Z",
"updated_at": "2022-09-04T14:37:58.705782Z",
"structure_string": "Cr2 P2 O10\n1.0\n5.929831 0.000000 -0.000000\n-0.000000 5.929831 0.000000\n-0.000000 -0.000000 4.485874\nCr P O\n2 2 10\ndirect\n0.250000 0.250000 0.797218 Cr\n0.750000 0.750000 0.202781 Cr\n0.250000 0.750000 0.499999 P\n0.750000 0.250000 0.499999 P\n0.049505 0.814899 0.298917 O\n0.185101 0.549504 0.701082 O\n0.250000 0.250000 0.147021 O\n0.314899 0.950495 0.701082 O\n0.450495 0.685101 0.298917 O\n0.549504 0.314899 0.701082 O\n0.685101 0.049505 0.298917 O\n0.750000 0.750000 0.852978 O\n0.814899 0.450495 0.298917 O\n0.950495 0.185101 0.701082 O\n",
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{
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"structure_string": "Li2 Cr3 Cu1 O8\n1.0\n5.823820 0.028895 0.020431\n2.936932 5.029129 0.020432\n2.936932 1.695639 4.734698\nLi Cr Cu O\n2 3 1 8\ndirect\n0.121262 0.121262 0.121262 Li\n0.499537 0.499537 0.499537 Li\n0.007118 0.497530 0.497530 Cr\n0.497530 0.007118 0.497530 Cr\n0.497530 0.497530 0.007119 Cr\n0.878199 0.878199 0.878200 Cu\n0.258799 0.258799 0.258799 O\n0.250073 0.250073 0.711585 O\n0.250073 0.711585 0.250073 O\n0.711585 0.250073 0.250073 O\n0.291512 0.748541 0.748541 O\n0.748541 0.291512 0.748541 O\n0.748541 0.748541 0.291512 O\n0.739696 0.739696 0.739696 O\n",
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"formula_full": "Li2 Cr3 Cu1 O8",
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{
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"created_at": "2022-09-04T14:37:51.675758Z",
"updated_at": "2022-09-04T14:37:51.675774Z",
"structure_string": "Ba1 Ca1 Sb4 O8\n1.0\n3.114223 -5.393991 -0.000000\n3.114223 5.393991 0.000000\n-0.000000 -0.000000 7.328267\nBa Ca Sb O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.725711 Sb\n0.666667 0.333333 0.725711 Sb\n0.333333 0.666667 0.274289 Sb\n0.666667 0.333333 0.274289 Sb\n0.297140 0.297140 0.717991 O\n0.702859 -0.000000 0.717991 O\n-0.000000 0.702859 0.717991 O\n0.702859 0.702859 0.282010 O\n-0.000000 0.297141 0.282010 O\n0.297141 -0.000000 0.282010 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
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"density": 5.344713021861515,
"density_atomic": 0.05686392463533426,
"volume": 246.20178944350673,
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"formula_full": "Ba1 Ca1 Sb4 O8",
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"formula_anonymous": "ABC4D8",
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{
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"created_at": "2022-09-04T14:37:49.512247Z",
"updated_at": "2022-09-04T14:37:49.512266Z",
"structure_string": "Mg4 Sn2 O8\n1.0\n4.320592 -4.320588 0.000034\n-4.320600 0.000025 -4.320545\n4.320542 4.320538 0.000033\nMg Sn O\n4 2 8\ndirect\n0.500001 0.000001 0.000000 Mg\n0.500000 0.000001 0.500000 Mg\n0.000001 0.500001 0.500001 Mg\n0.500001 0.500002 0.500000 Mg\n0.875001 0.750002 0.125000 Sn\n0.125000 0.250001 0.875000 Sn\n0.741871 0.016261 0.258129 O\n0.274390 0.016260 0.258130 O\n0.741872 0.483742 0.258130 O\n0.258131 0.516261 0.274390 O\n0.741871 0.483742 0.725610 O\n0.258131 0.983742 0.741871 O\n0.725612 0.983742 0.741870 O\n0.258131 0.516262 0.741871 O\n",
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"volume": 161.30441239651938,
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"formula_full": "Mg4 Sn2 O8",
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{
"id": "jvasp-22085",
"created_at": "2022-09-04T14:37:42.172946Z",
"updated_at": "2022-09-04T14:37:42.172976Z",
"structure_string": "Ca6 Mn2 N6\n1.0\n5.000764 0.000000 -0.000000\n-0.000000 6.432094 -1.272898\n0.000000 -0.006212 6.556833\nCa Mn N\n6 2 6\ndirect\n0.250000 0.905901 0.670021 Ca\n0.749999 0.608032 0.391967 Ca\n0.749999 0.670022 0.905901 Ca\n0.250000 0.391968 0.608032 Ca\n0.749999 0.094099 0.329978 Ca\n0.250000 0.329978 0.094098 Ca\n0.749999 0.197100 0.802899 Mn\n0.250000 0.802899 0.197100 Mn\n0.749999 0.934440 0.681353 N\n0.250000 0.626047 0.373953 N\n0.749999 0.373953 0.626047 N\n0.250000 0.681353 0.934440 N\n0.250000 0.065560 0.318647 N\n0.749999 0.318646 0.065560 N\n",
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{
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"created_at": "2022-09-04T14:37:56.787549Z",
"updated_at": "2022-09-04T14:37:56.787572Z",
"structure_string": "U2 H4 O8\n1.0\n1.742361 5.133039 0.000000\n-1.742361 5.133039 0.000000\n0.000000 0.000000 8.979310\nU H O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.232652 0.232652 0.622114 H\n0.767348 0.767348 0.377886 H\n0.267348 0.267348 0.122114 H\n0.732652 0.732652 0.877886 H\n0.330662 0.330662 0.611766 O\n0.669338 0.669338 0.388234 O\n0.169338 0.169338 0.111766 O\n0.830662 0.830662 0.888234 O\n0.071119 0.071119 0.614913 O\n0.928881 0.928881 0.385087 O\n0.428881 0.428881 0.114913 O\n0.571119 0.571119 0.885087 O\n",
"nsites": 14,
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"density_atomic": 0.08716504710620782,
"volume": 160.61483891520703,
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"formula_full": "U2 H4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 64
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{
"id": "jvasp-10596",
"created_at": "2022-09-04T14:37:35.034175Z",
"updated_at": "2022-09-04T14:37:35.034201Z",
"structure_string": "Ca2 Mo4 O8\n1.0\n6.768116 -0.508035 -0.359235\n2.944087 5.099308 -0.000000\n2.944086 1.699770 4.807673\nCa Mo O\n2 4 8\ndirect\n0.042228 0.985925 0.985924 Ca\n0.106009 0.631330 0.631330 Ca\n0.220114 0.259962 0.259962 Mo\n0.629433 0.159736 0.605416 Mo\n0.629433 0.605417 0.159736 Mo\n0.629433 0.605417 0.605416 Mo\n0.404598 0.369640 0.369640 O\n0.404598 0.369640 0.856123 O\n0.404598 0.856124 0.369640 O\n0.878356 0.373882 0.373882 O\n0.447520 0.850827 0.850826 O\n0.817897 0.415123 0.883491 O\n0.817897 0.883491 0.415122 O\n0.817897 0.883492 0.883491 O\n",
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"volume": 176.7120620283865,
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"formula_full": "Ca2 Mo4 O8",
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{
"id": "jvasp-9672",
"created_at": "2022-09-04T14:37:56.668922Z",
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"structure_string": "Mg2 Sn4 O8\n1.0\n5.819260 -0.000000 -3.055186\n-1.604011 5.593831 -3.055186\n-0.269003 -0.356981 6.557237\nMg Sn O\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Mg\n0.625000 0.375000 0.250000 Mg\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.753353 0.760089 0.506706 O\n0.753384 0.246648 0.993293 O\n0.239912 0.246648 0.993294 O\n0.246648 0.239911 0.493293 O\n0.246648 0.753383 0.493293 O\n0.246617 0.753352 0.006706 O\n0.753353 0.246617 0.506707 O\n0.760089 0.753352 0.006706 O\n",
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"volume": 200.7574420887492,
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{
"id": "jvasp-57061",
"created_at": "2022-09-04T14:37:39.915006Z",
"updated_at": "2022-09-04T14:37:39.915024Z",
"structure_string": "Cd4 Si2 O8\n1.0\n5.378823 0.000000 3.105463\n1.792941 5.071202 3.105463\n0.000000 0.000000 6.210929\nCd Si O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.875000 0.875000 0.875000 Si\n0.125000 0.125000 0.125000 Si\n0.764764 0.205708 0.764764 O\n0.235236 0.235236 0.794292 O\n0.235236 0.794292 0.235235 O\n0.764764 0.764764 0.764764 O\n0.794292 0.235236 0.235235 O\n0.764764 0.764764 0.205708 O\n0.235236 0.235236 0.235236 O\n0.205708 0.764764 0.764764 O\n",
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{
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"created_at": "2022-09-04T14:37:40.610162Z",
"updated_at": "2022-09-04T14:37:40.610181Z",
"structure_string": "Ca4 Ru2 O8\n1.0\n5.282862 0.000000 0.000000\n-0.000000 4.868239 -2.051236\n0.000000 0.008351 6.822381\nCa Ru O\n4 2 8\ndirect\n0.000000 0.346402 0.692803 Ca\n0.500000 0.153598 0.307196 Ca\n0.500000 0.846402 0.692803 Ca\n0.000000 0.653598 0.307196 Ca\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 -0.000000 Ru\n0.500000 0.665815 0.331631 O\n0.000000 0.834185 0.668368 O\n0.500000 0.334185 0.668368 O\n0.000000 0.165815 0.331631 O\n0.682693 0.182686 -0.000000 O\n0.182693 0.317314 -0.000000 O\n0.317306 0.817314 -0.000000 O\n0.817306 0.682686 -0.000000 O\n",
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{
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"structure_string": "K2 Hg2 C4 I2 N4\n1.0\n4.376854 -0.000000 -0.000000\n-2.188426 8.052063 0.000000\n-0.000000 0.000000 9.705000\nK Hg C I N\n2 2 4 2 4\ndirect\n0.764227 0.528457 0.750000 K\n0.235771 0.471543 0.250000 K\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.877191 0.754386 0.057055 C\n0.122807 0.245614 0.942945 C\n0.122807 0.245614 0.557055 C\n0.877191 0.754386 0.442945 C\n0.553768 0.107538 0.250000 I\n0.446230 0.892462 0.750000 I\n0.807133 0.614270 0.087485 N\n0.192865 0.385730 0.587485 N\n0.807133 0.614270 0.412514 N\n0.192865 0.385730 0.912514 N\n",
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{
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"created_at": "2022-09-04T14:37:50.095058Z",
"updated_at": "2022-09-04T14:37:50.095078Z",
"structure_string": "Ce8 Sb6\n1.0\n7.684149 -0.000000 -2.716757\n-3.842074 6.654668 -2.716757\n0.000000 0.000000 8.150270\nCe Sb\n8 6\ndirect\n0.147081 0.147081 0.147081 Ce\n0.852920 0.500000 1.000000 Ce\n1.000001 0.852919 0.500000 Ce\n0.500000 -0.000000 0.852919 Ce\n1.000000 0.352919 0.500000 Ce\n0.500000 -0.000000 0.352919 Ce\n0.352920 0.500000 1.000000 Ce\n0.647081 0.647081 0.647081 Ce\n0.250000 0.625000 0.375000 Sb\n0.375000 0.250000 0.625000 Sb\n0.125001 0.750000 0.875000 Sb\n0.875000 0.125000 0.750000 Sb\n0.625000 0.375000 0.250000 Sb\n0.750001 0.875000 0.125000 Sb\n",
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}
]
}