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{
"id": "mp-20356",
"created_at": "2022-09-04T14:46:55.221985Z",
"structure_string": "Ce2 Sb1 O2\n1.0\n-1.997519 1.997519 6.419982\n1.997519 -1.997519 6.419982\n1.997519 1.997519 -6.419982\nCe Sb O\n2 1 2\ndirect\n0.655173 0.655173 0.000000 Ce\n0.344827 0.344827 0.000000 Ce\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"density": 7.033216414898109,
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"volume": 102.46502246375529,
"volume_molar": 12.341175765065929,
"formula_full": "Ce2 Sb1 O2",
"formula_reduced": "Ce2SbO2",
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"spacegroup": 139
},
{
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"created_at": "2022-09-04T14:46:55.227808Z",
"structure_string": "Rb2 Zr1 F6\n1.0\n3.135172 -5.430277 0.000000\n3.135172 5.430277 0.000000\n0.000000 0.000000 4.924234\nRb Zr F\n2 1 6\ndirect\n0.333333 0.666667 0.688368 Rb\n0.666667 0.333333 0.311632 Rb\n0.000000 0.000000 0.000000 Zr\n0.842478 0.157522 0.772050 F\n0.842478 0.684957 0.772050 F\n0.315043 0.157522 0.772050 F\n0.157522 0.842478 0.227950 F\n0.157522 0.315043 0.227950 F\n0.684957 0.842478 0.227950 F\n",
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"density": 3.725273406943464,
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"volume": 167.66871409216256,
"volume_molar": 11.21916219234665,
"formula_full": "Rb2 Zr1 F6",
"formula_reduced": "Rb2ZrF6",
"formula_anonymous": "AB2C6",
"energy": -54.92839533,
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"updated_at": "2021-11-28T01:37:44.765000Z",
"spacegroup": 164
},
{
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"created_at": "2022-09-04T14:46:55.228615Z",
"structure_string": "K8 U2 C6 O22\n1.0\n4.676634 5.235965 0.000000\n-4.676634 5.235965 0.000000\n0.000000 0.982173 12.414691\nK U C O\n8 2 6 22\ndirect\n0.425406 0.787481 0.957096 K\n0.212519 0.574594 0.542904 K\n0.574594 0.212519 0.042904 K\n0.787481 0.425406 0.457096 K\n0.033377 0.333910 0.156563 K\n0.666090 0.966623 0.343437 K\n0.966623 0.666090 0.843437 K\n0.333910 0.033377 0.656563 K\n0.200074 0.799926 0.250000 U\n0.799926 0.200074 0.750000 U\n0.510069 0.489931 0.250000 C\n0.489931 0.510069 0.750000 C\n0.168221 0.080981 0.413630 C\n0.919019 0.831779 0.086370 C\n0.831779 0.919019 0.586370 C\n0.080981 0.168221 0.913630 C\n0.363953 0.959335 0.179119 O\n0.040665 0.636047 0.320881 O\n0.636047 0.040665 0.820881 O\n0.959335 0.363953 0.679119 O\n0.608508 0.476113 0.828894 O\n0.523887 0.391492 0.671106 O\n0.391492 0.523887 0.171106 O\n0.476113 0.608508 0.328894 O\n0.920864 0.287279 0.919954 O\n0.712721 0.079136 0.580046 O\n0.079136 0.712721 0.080046 O\n0.287279 0.920864 0.419954 O\n0.084341 0.044976 0.837462 O\n0.955024 0.915659 0.662538 O\n0.915659 0.955024 0.162538 O\n0.044976 0.084341 0.337462 O\n0.354398 0.645602 0.750000 O\n0.645602 0.354398 0.250000 O\n0.217846 0.173705 0.973903 O\n0.826295 0.782154 0.526097 O\n0.782154 0.826295 0.026097 O\n0.173705 0.217846 0.473903 O\n",
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"elements": [
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],
"chemical_system": "C-K-O-U",
"density": 3.3126561142115976,
"density_atomic": 0.06250108676442266,
"volume": 607.9894281395223,
"volume_molar": 9.635257675916073,
"formula_full": "K8 U2 C6 O22",
"formula_reduced": "K4UC3O11",
"formula_anonymous": "AB3C4D11",
"energy": -289.46681622999995,
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"updated_at": "2021-11-28T01:37:41.656000Z",
"spacegroup": 15
},
{
"id": "mp-1197282",
"created_at": "2022-09-04T14:46:55.244825Z",
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{
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"structure_string": "Cr4 Cd1 Ag1 Se8\n1.0\n0.000000 5.411608 5.411608\n5.411608 0.000000 5.411608\n5.411608 5.411608 0.000000\nCr Cd Ag Se\n4 1 1 8\ndirect\n0.629747 0.123418 0.123418 Cr\n0.123418 0.629747 0.123418 Cr\n0.123418 0.123418 0.629747 Cr\n0.123418 0.123418 0.123418 Cr\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Ag\n0.331778 0.889407 0.889407 Se\n0.889407 0.331778 0.889407 Se\n0.889407 0.889407 0.331778 Se\n0.889407 0.889407 0.889407 Se\n0.922129 0.359290 0.359290 Se\n0.359290 0.922129 0.359290 Se\n0.359290 0.359290 0.922129 Se\n0.359290 0.359290 0.359290 Se\n",
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{
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