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{
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{
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{
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"updated_at": "2021-11-28T01:36:15.366000Z",
"spacegroup": 46
},
{
"id": "mp-1199318",
"created_at": "2022-09-04T14:43:17.227825Z",
"structure_string": "Co8 Sn4 C32 Se4 O32\n1.0\n0.000000 10.894494 11.120011\n6.418900 0.000000 11.120011\n6.418900 10.894494 0.000000\nCo Sn C Se O\n8 4 32 4 32\ndirect\n0.648113 0.148023 0.357585 Co\n0.846279 0.357585 0.148023 Co\n0.357585 0.846279 0.648113 Co\n0.148023 0.648113 0.846279 Co\n0.601887 0.101977 0.892415 Co\n0.403721 0.892415 0.101977 Co\n0.892415 0.403721 0.601887 Co\n0.101977 0.601887 0.403721 Co\n0.637323 0.362677 0.362677 Sn\n0.362677 0.637323 0.637323 Sn\n0.612677 0.887323 0.887323 Sn\n0.887323 0.612677 0.612677 Sn\n0.822489 0.051766 0.285272 C\n0.840472 0.285272 0.051766 C\n0.285272 0.840472 0.822489 C\n0.051766 0.822489 0.840472 C\n0.427511 0.198234 0.964728 C\n0.409528 0.964728 0.198234 C\n0.964728 0.409528 0.427511 C\n0.198234 0.427511 0.409528 C\n0.537084 0.192983 0.537113 C\n0.732821 0.537113 0.192983 C\n0.537113 0.732821 0.537084 C\n0.192983 0.537084 0.732821 C\n0.712916 0.057017 0.712887 C\n0.517179 0.712887 0.057017 C\n0.712887 0.517179 0.712916 C\n0.057017 0.712916 0.517179 C\n0.583092 0.237932 0.261930 C\n0.917046 0.261930 0.237932 C\n0.261930 0.917046 0.583092 C\n0.237932 0.583092 0.917046 C\n0.666908 0.012068 0.988070 C\n0.332954 0.988070 0.012068 C\n0.988070 0.332954 0.666908 C\n0.012068 0.666908 0.332954 C\n0.649556 0.011136 0.349402 C\n0.989905 0.349402 0.011136 C\n0.349402 0.989905 0.649556 C\n0.011136 0.649556 0.989905 C\n0.600444 0.238864 0.900598 C\n0.260095 0.900598 0.238864 C\n0.900598 0.260095 0.600444 C\n0.238864 0.600444 0.260095 C\n0.412340 0.587660 0.412340 Se\n0.587660 0.412340 0.587660 Se\n0.837660 0.662340 0.837660 Se\n0.662340 0.837660 0.662340 Se\n0.936464 0.985398 0.238009 O\n0.840128 0.238009 0.985398 O\n0.238009 0.840128 0.936464 O\n0.985398 0.936464 0.840128 O\n0.313536 0.264602 0.011991 O\n0.409872 0.011991 0.264602 O\n0.011991 0.409872 0.313536 O\n0.264602 0.313536 0.409872 O\n0.466700 0.213256 0.653917 O\n0.666128 0.653917 0.213256 O\n0.653916 0.666128 0.466700 O\n0.213256 0.466700 0.666128 O\n0.783300 0.036744 0.596084 O\n0.583872 0.596084 0.036744 O\n0.596084 0.583872 0.783300 O\n0.036744 0.783300 0.583872 O\n0.538749 0.292530 0.200370 O\n0.968350 0.200370 0.292530 O\n0.200370 0.968350 0.538749 O\n0.292530 0.538749 0.968350 O\n0.711251 0.957470 0.049630 O\n0.281650 0.049630 0.957470 O\n0.049630 0.281650 0.711251 O\n0.957470 0.711251 0.281650 O\n0.649246 0.922745 0.344575 O\n0.083433 0.344575 0.922745 O\n0.344575 0.083433 0.649246 O\n0.922745 0.649246 0.083433 O\n0.600754 0.327255 0.905425 O\n0.166567 0.905425 0.327255 O\n0.905425 0.166567 0.600754 O\n0.327255 0.600754 0.166567 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Co",
"Sn",
"C",
"Se",
"O"
],
"chemical_system": "C-Co-O-Se-Sn",
"density": 2.304581007416881,
"density_atomic": 0.051438358456605805,
"volume": 1555.2595844886698,
"volume_molar": 11.707490170162353,
"formula_full": "Co8 Sn4 C32 Se4 O32",
"formula_reduced": "Co2SnC8SeO8",
"formula_anonymous": "ABC2D8E8",
"energy": -604.69208951,
"energy_per_atom": -7.558651118875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -567.71608951,
"band_gap": 1.81,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001294,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.844000Z",
"spacegroup": 70
}
]
}