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{
"id": "mp-1197282",
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"nsites": 336,
"nelements": 6,
"elements": [
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"H",
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],
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"density": 1.84592136413982,
"density_atomic": 0.07724237312902389,
"volume": 4349.944031869053,
"volume_molar": 7.796421207749216,
"formula_full": "Cu8 Sn24 H216 C72 N8 Cl8",
"formula_reduced": "CuSn3H27C9NCl",
"formula_anonymous": "ABCD3E9F27",
"energy": -1653.225451,
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"energy_uncorrected": -1645.425451,
"band_gap": 2.8063,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:37:51.498000Z",
"spacegroup": 198
},
{
"id": "mp-777569",
"created_at": "2022-09-04T14:46:57.886629Z",
"structure_string": "Ta4 Cr2 N2 O10\n1.0\n4.765920 -0.005233 -0.008788\n-0.005238 4.765833 0.008777\n-0.017116 0.017092 9.238787\nTa Cr N O\n4 2 2 10\ndirect\n0.988266 0.011739 0.343597 Ta\n0.992472 0.007538 0.672958 Ta\n0.495668 0.504331 0.166859 Ta\n0.479534 0.520463 0.830031 Ta\n0.502658 0.497370 0.499217 Cr\n0.003230 0.996779 0.999998 Cr\n0.198043 0.801956 0.833016 N\n0.803339 0.196661 0.497530 N\n0.196280 0.803721 0.497852 O\n0.204686 0.795265 0.165119 O\n0.805813 0.194186 0.168894 O\n0.805539 0.194464 0.831841 O\n0.307104 0.300121 0.327527 O\n0.699877 0.692897 0.327527 O\n0.306909 0.301253 0.668242 O\n0.698748 0.693093 0.668244 O\n0.313209 0.301372 0.000775 O\n0.698623 0.686793 0.000775 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Cr-N-O-Ta",
"density": 8.038156745504136,
"density_atomic": 0.08577791121109232,
"volume": 209.8442331581553,
"volume_molar": 7.020619498625948,
"formula_full": "Ta4 Cr2 N2 O10",
"formula_reduced": "Ta2CrNO5",
"formula_anonymous": "ABC2D5",
"energy": -181.01754985,
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"band_gap": 1.4420000000000002,
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"updated_at": "2021-11-28T01:37:49.838000Z",
"spacegroup": 8
},
{
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"created_at": "2022-09-04T14:46:05.847314Z",
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