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"structure_string": "Co16 Te12 N8\n1.0\n6.220168 0.000000 0.000000\n0.000000 10.189918 0.000000\n0.000000 0.000000 9.116879\nCo Te N\n16 12 8\ndirect\n0.636928 0.250000 0.946707 Co\n0.136928 0.250000 0.553293 Co\n0.363072 0.750000 0.053293 Co\n0.863072 0.750000 0.446707 Co\n0.804485 0.250000 0.425223 Co\n0.304485 0.250000 0.074777 Co\n0.195515 0.750000 0.574777 Co\n0.695515 0.750000 0.925223 Co\n0.696913 0.482752 0.069033 Co\n0.196913 0.017248 0.430967 Co\n0.303087 0.982752 0.930967 Co\n0.803087 0.517248 0.569033 Co\n0.303087 0.517248 0.930967 Co\n0.803087 0.982752 0.569033 Co\n0.696913 0.017248 0.069033 Co\n0.196913 0.482752 0.430967 Co\n0.901220 0.250000 0.159163 Te\n0.401220 0.250000 0.340837 Te\n0.098780 0.750000 0.840837 Te\n0.598780 0.750000 0.659163 Te\n0.573449 0.574801 0.327927 Te\n0.073449 0.925199 0.172073 Te\n0.426551 0.074801 0.672073 Te\n0.926551 0.425199 0.827927 Te\n0.426551 0.425199 0.672073 Te\n0.926551 0.074801 0.827927 Te\n0.573449 0.925199 0.327927 Te\n0.073449 0.574801 0.172073 Te\n0.538652 0.615859 0.988253 N\n0.038652 0.884141 0.511747 N\n0.461348 0.115859 0.011747 N\n0.961348 0.384141 0.488253 N\n0.461348 0.384141 0.011747 N\n0.961348 0.115859 0.488253 N\n0.538652 0.884141 0.988253 N\n0.038652 0.615859 0.511747 N\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Co-N-Te",
"density": 7.431725228307585,
"density_atomic": 0.062299348651290415,
"volume": 577.8551586711385,
"volume_molar": 9.666458623360363,
"formula_full": "Co16 Te12 N8",
"formula_reduced": "Co4Te3N2",
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"formation_energy": null,
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"energy_uncorrected": -213.93551207,
"band_gap": 0.0,
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"total_magnetization": 0.0023835,
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"updated_at": "2021-11-28T01:37:17.852000Z",
"spacegroup": 62
},
{
"id": "mp-15868",
"created_at": "2022-09-04T14:42:12.450498Z",
"structure_string": "Co4 Sn1 Sb12\n1.0\n-4.598845 4.598845 4.598845\n4.598845 -4.598845 4.598845\n4.598845 4.598845 -4.598845\nCo Sn Sb\n4 1 12\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.840302 0.171830 0.331527 Sb\n0.668473 0.159698 0.828170 Sb\n0.508775 0.668473 0.840302 Sb\n0.668473 0.840302 0.508775 Sb\n0.491225 0.331527 0.159698 Sb\n0.331527 0.840302 0.171830 Sb\n0.171830 0.331527 0.840302 Sb\n0.828170 0.668473 0.159698 Sb\n0.331527 0.159698 0.491225 Sb\n0.840302 0.508775 0.668473 Sb\n0.159698 0.491225 0.331527 Sb\n0.159698 0.828170 0.668473 Sb\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "Co-Sb-Sn",
"density": 7.749149866298689,
"density_atomic": 0.043696093603676864,
"volume": 389.05079603201676,
"volume_molar": 13.781874449969731,
"formula_full": "Co4 Sn1 Sb12",
"formula_reduced": "Co4SnSb12",
"formula_anonymous": "AB4C12",
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"formation_energy": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.613000Z",
"spacegroup": 204
},
{
"id": "mp-1245654",
"created_at": "2022-09-04T14:41:35.767072Z",
"structure_string": "Co8 Sn2 N8\n1.0\n5.214128 0.805751 0.795829\n2.660727 5.631320 1.835395\n2.779414 4.787453 9.177809\nCo Sn N\n8 2 8\ndirect\n0.828120 0.571018 0.232371 Co\n0.171880 0.428982 0.767629 Co\n0.751846 0.209420 0.940476 Co\n0.248154 0.790580 0.059524 Co\n0.769663 0.485184 0.595448 Co\n0.230337 0.514816 0.404552 Co\n0.251755 0.944274 0.607518 Co\n0.748245 0.055726 0.392482 Co\n0.696432 0.890384 0.803914 Sn\n0.303568 0.109616 0.196086 Sn\n0.055351 0.625484 0.552523 N\n0.944649 0.374516 0.447477 N\n0.960370 0.811407 0.993499 N\n0.039630 0.188593 0.006501 N\n0.458196 0.478423 0.782919 N\n0.541804 0.521577 0.217081 N\n0.497779 0.906913 0.428570 N\n0.502221 0.093087 0.571430 N\n",
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"elements": [
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],
"chemical_system": "Co-N-Sn",
"density": 6.6244831123646915,
"density_atomic": 0.08747106862540337,
"volume": 205.7823264636833,
"volume_molar": 6.884722977136521,
"formula_full": "Co8 Sn2 N8",
"formula_reduced": "Co4SnN4",
"formula_anonymous": "AB4C4",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.001000Z",
"spacegroup": 2
}
]
}