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"volume_molar": 7.91101136031222,
"formula_full": "V2 Cr1 Os1",
"formula_reduced": "V2CrOs",
"formula_anonymous": "ABC2",
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -40.23957986,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0045222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.332000Z",
"spacegroup": 225
},
{
"id": "mp-1188194",
"created_at": "2022-09-04T14:44:18.235310Z",
"structure_string": "Ta6 B4 Ru10\n1.0\n9.467099 0.000000 0.000000\n0.000000 9.467099 0.000000\n0.000000 0.000000 3.015140\nTa B Ru\n6 4 10\ndirect\n0.823905 0.676095 0.000000 Ta\n0.176095 0.323905 0.000000 Ta\n0.323905 0.823905 0.000000 Ta\n0.676095 0.176095 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.621512 0.878488 0.000000 B\n0.378488 0.121512 0.000000 B\n0.121512 0.621512 0.000000 B\n0.878488 0.378488 0.000000 B\n0.571302 0.718394 0.500000 Ru\n0.428698 0.281606 0.500000 Ru\n0.071302 0.781606 0.500000 Ru\n0.928698 0.218394 0.500000 Ru\n0.281606 0.571302 0.500000 Ru\n0.718394 0.428698 0.500000 Ru\n0.218394 0.071302 0.500000 Ru\n0.781606 0.928698 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"B",
"Ru"
],
"chemical_system": "B-Ru-Ta",
"density": 13.14760706915058,
"density_atomic": 0.07400970549931167,
"volume": 270.2348275144266,
"volume_molar": 8.136960847730991,
"formula_full": "Ta6 B4 Ru10",
"formula_reduced": "Ta3B2Ru5",
"formula_anonymous": "A2B3C5",
"energy": -201.18235669,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.604000Z",
"spacegroup": 127
}
]
}