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{
"id": "jvasp-17641",
"created_at": "2022-09-04T14:38:30.709860Z",
"updated_at": "2022-09-04T14:38:30.709892Z",
"structure_string": "Ca2 Mn2 Ge2\n1.0\n4.013169 0.000000 0.000000\n0.000000 4.013169 -0.000000\n0.000000 0.000000 7.418910\nCa Mn Ge\n2 2 2\ndirect\n0.000000 0.500000 0.332088 Ca\n0.500000 0.000000 0.667912 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.798241 Ge\n0.500000 0.000000 0.201759 Ge\n",
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{
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"created_at": "2022-09-04T14:38:13.453683Z",
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"structure_string": "Ca1 Mn2 Ge2\n1.0\n3.749777 -0.000000 -1.340478\n-0.479197 3.719032 -1.340478\n0.091313 0.103833 6.170377\nCa Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.249999 0.500000 Mn\n0.249999 0.749999 0.500000 Mn\n0.375866 0.375866 0.751734 Ge\n0.624133 0.624133 0.248266 Ge\n",
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{
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"structure_string": "Ca2 Mn2 Ge4 O12\n1.0\n5.386499 -0.117078 1.079736\n1.227191 6.736973 0.817275\n-0.135222 0.100626 6.894369\nCa Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.307638 0.692363 Ca\n0.250000 0.692362 0.307637 Ca\n0.750000 0.907971 0.092029 Mn\n0.250000 0.092029 0.907972 Mn\n0.768711 0.384698 0.185810 Ge\n0.731289 0.814190 0.615302 Ge\n0.231289 0.615302 0.814190 Ge\n0.268711 0.185810 0.384698 Ge\n0.637917 0.984553 0.792985 O\n0.862083 0.207014 0.015447 O\n0.644799 0.626628 0.107028 O\n0.855202 0.892972 0.373372 O\n0.355202 0.373372 0.892972 O\n0.977276 0.605883 0.677357 O\n0.022725 0.394117 0.322643 O\n0.477275 0.677356 0.605883 O\n0.137917 0.792986 0.984553 O\n0.522725 0.322643 0.394117 O\n0.144799 0.107028 0.626628 O\n0.362083 0.015447 0.207015 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Ca-Ge-Mn-O",
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"volume": 251.8651564491611,
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"formula_full": "Ca2 Mn2 Ge4 O12",
"formula_reduced": "CaMn(GeO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-45598",
"created_at": "2022-09-04T14:37:28.408443Z",
"updated_at": "2022-09-04T14:37:28.408462Z",
"structure_string": "Ca2 Mn2 Ge4 O12\n1.0\n5.386762 -0.116983 1.079899\n1.227478 6.737217 0.816889\n-0.135078 0.100172 6.894622\nCa Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.307632 0.692368 Ca\n0.250000 0.692368 0.307632 Ca\n0.750000 0.907962 0.092039 Mn\n0.250000 0.092039 0.907961 Mn\n0.768720 0.384694 0.185817 Ge\n0.731280 0.814183 0.615306 Ge\n0.231280 0.615306 0.814183 Ge\n0.268720 0.185817 0.384694 Ge\n0.637927 0.984555 0.792997 O\n0.862073 0.207004 0.015446 O\n0.644829 0.626614 0.107051 O\n0.855171 0.892950 0.373387 O\n0.355171 0.373387 0.892949 O\n0.977280 0.605895 0.677352 O\n0.022719 0.394106 0.322648 O\n0.477280 0.677353 0.605894 O\n0.137927 0.792997 0.984554 O\n0.522719 0.322648 0.394106 O\n0.144829 0.107051 0.626613 O\n0.362073 0.015446 0.207003 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Ca-Ge-Mn-O",
"density": 4.433791249978529,
"density_atomic": 0.07939790326557683,
"volume": 251.89582063776052,
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"formula_full": "Ca2 Mn2 Ge4 O12",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-8289",
"created_at": "2022-09-04T14:36:42.760718Z",
"updated_at": "2022-09-04T14:36:42.760739Z",
"structure_string": "Ca1 Mn2 N2\n1.0\n3.257049 0.000000 0.000000\n0.000000 3.257019 0.000000\n0.000000 0.000000 6.748624\nCa Mn N\n1 2 2\ndirect\n0.000000 0.000000 0.250000 Ca\n0.500000 0.500000 0.896906 Mn\n0.500000 0.500000 0.603095 Mn\n0.500000 0.000000 0.494089 N\n0.000000 0.500000 0.005909 N\n",
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"density": 4.127907495577186,
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"formula_full": "Ca1 Mn2 N2",
"formula_reduced": "Ca(MnN)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 115
},
{
"id": "jvasp-107378",
"created_at": "2022-09-04T14:36:59.284583Z",
"updated_at": "2022-09-04T14:36:59.284598Z",
"structure_string": "Ca2 Mn2 N4\n1.0\n3.071179 -0.000024 0.000000\n-1.535611 2.659674 0.000000\n-0.000000 -0.000000 10.579677\nCa Mn N\n2 2 4\ndirect\n0.666718 0.333429 0.250000 Ca\n0.333303 0.666571 0.750000 Ca\n0.000010 -0.000000 0.500000 Mn\n0.000010 -0.000000 0.000000 Mn\n0.333365 0.666709 0.401752 N\n0.666659 0.333291 0.598249 N\n0.666659 0.333291 0.901752 N\n0.333365 0.666709 0.098248 N\n",
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"volume": 86.41795533650941,
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"formula_full": "Ca2 Mn2 N4",
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"formula_anonymous": "ABC2",
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"spacegroup": 194
},
{
"id": "jvasp-9204",
"created_at": "2022-09-04T14:37:28.286596Z",
"updated_at": "2022-09-04T14:37:28.286619Z",
"structure_string": "Ca4 Mn4 O8\n1.0\n3.302474 0.107329 0.198661\n-0.186024 7.878588 -1.140086\n-0.421452 -1.661486 7.838051\nCa Mn O\n4 4 8\ndirect\n0.237068 0.785288 0.938214 Ca\n0.736997 0.185296 0.080594 Ca\n0.737103 0.919932 0.322493 Ca\n0.236967 0.050654 0.696317 Ca\n0.736863 0.421302 0.820356 Mn\n0.737014 0.667381 0.566615 Mn\n0.236840 0.303206 0.452192 Mn\n0.237017 0.549283 0.198448 Mn\n0.737163 0.434478 0.331910 O\n0.736848 0.185402 0.573957 O\n0.237238 0.785187 0.444854 O\n0.236994 0.536109 0.686897 O\n0.236902 0.312280 0.949096 O\n0.737029 0.916867 0.815722 O\n0.737176 0.658304 0.069713 O\n0.237055 0.053723 0.203088 O\n",
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"formula_full": "Ca4 Mn4 O8",
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"spacegroup": 11
},
{
"id": "jvasp-9451",
"created_at": "2022-09-04T14:37:28.668866Z",
"updated_at": "2022-09-04T14:37:28.668895Z",
"structure_string": "Ca4 Mn4 O8\n1.0\n3.374689 -0.043237 0.100425\n0.913949 7.473223 0.178126\n0.828360 1.312990 8.639946\nCa Mn O\n4 4 8\ndirect\n0.754167 0.706535 0.974925 Ca\n0.245403 0.269750 0.039790 Ca\n0.711236 0.901663 0.329087 Ca\n0.278033 0.066748 0.700610 Ca\n0.705072 0.427251 0.719318 Mn\n0.081875 0.617387 0.666410 Mn\n0.818511 0.306287 0.362004 Mn\n0.323843 0.581798 0.286491 Mn\n0.664642 0.430522 0.160863 O\n0.777009 0.261993 0.577745 O\n0.188824 0.705098 0.454010 O\n0.323074 0.543604 0.857268 O\n0.804770 0.208586 0.876264 O\n0.840447 0.843399 0.716783 O\n0.181308 0.789489 0.133927 O\n0.172851 0.114263 0.305174 O\n",
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{
"id": "jvasp-110275",
"created_at": "2022-09-04T14:37:57.119935Z",
"updated_at": "2022-09-04T14:37:57.119945Z",
"structure_string": "Ca2 Mn2 O4\n1.0\n3.284809 0.000000 -0.000000\n-0.000001 5.341069 -1.856733\n0.000000 0.018953 5.654566\nCa Mn O\n2 2 4\ndirect\n0.000000 0.250000 0.750000 Ca\n0.000000 0.750000 0.250000 Ca\n0.500000 0.749998 0.750000 Mn\n0.500000 0.250001 0.250000 Mn\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000001 O\n0.500000 0.000001 0.500000 O\n",
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"formula_full": "Ca2 Mn2 O4",
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"spacegroup": 123
},
{
"id": "jvasp-79151",
"created_at": "2022-09-04T14:38:01.044057Z",
"updated_at": "2022-09-04T14:38:01.044078Z",
"structure_string": "Ca1 Mn1 O2\n1.0\n-1.373899 2.703099 -0.925776\n-1.658202 -2.702165 -0.004339\n0.060750 -0.043424 5.209655\nCa Mn O\n1 1 2\ndirect\n0.000001 0.500002 0.500001 Ca\n0.000000 0.000002 0.000001 Mn\n0.529605 0.264802 0.794403 O\n0.470397 0.735201 0.205598 O\n",
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"formula_full": "Ca1 Mn1 O2",
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},
{
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"updated_at": "2022-09-04T14:36:19.005817Z",
"structure_string": "Ca2 Mn2 O4\n1.0\n-3.259403 -0.000875 0.000000\n0.000001 -0.000219 -4.705159\n0.002186 -6.460667 0.000479\nCa Mn O\n2 2 4\ndirect\n0.562425 0.500880 0.886282 Ca\n0.062442 0.000883 0.613726 Ca\n0.562444 0.504001 0.373522 Mn\n0.062402 0.004013 0.126463 Mn\n0.062451 0.494982 0.144568 O\n0.562484 0.000114 0.884615 O\n0.062391 0.500123 0.615407 O\n0.562410 0.995008 0.355436 O\n",
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"formula_full": "Ca2 Mn2 O4",
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},
{
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"created_at": "2022-09-04T14:37:15.945076Z",
"updated_at": "2022-09-04T14:37:15.945091Z",
"structure_string": "Ca4 Mn4 O8\n1.0\n3.310516 -0.003226 -0.001142\n0.008041 7.961730 0.039702\n0.005377 2.725226 7.545277\nCa Mn O\n4 4 8\ndirect\n0.750009 0.199975 0.928816 Ca\n0.249993 0.800025 0.071184 Ca\n0.249996 0.065361 0.313089 Ca\n0.750006 0.934639 0.686912 Ca\n0.250026 0.563949 0.810975 Mn\n0.249894 0.317880 0.557236 Mn\n0.750107 0.682120 0.442764 Mn\n0.749976 0.436051 0.189026 Mn\n0.249854 0.550791 0.322555 O\n0.250038 0.799896 0.564689 O\n0.749963 0.200104 0.435311 O\n0.750148 0.449209 0.677445 O\n0.750005 0.673006 0.939857 O\n0.250009 0.068508 0.806234 O\n0.249997 0.326994 0.060144 O\n0.749993 0.931492 0.193767 O\n",
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"formula_full": "Ca4 Mn4 O8",
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}
]
}