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"updated_at": "2021-11-28T01:35:19.168000Z",
"spacegroup": 193
},
{
"id": "mp-1215754",
"created_at": "2022-09-04T14:46:13.590447Z",
"structure_string": "Zr4 Ti6 Si6\n1.0\n0.000000 0.000000 -5.466895\n-3.856555 -6.679748 0.000000\n-3.859184 6.681266 0.000000\nZr Ti Si\n4 6 6\ndirect\n0.500000 0.333323 0.666646 Zr\n0.500000 0.666677 0.333354 Zr\n0.000000 0.666677 0.333354 Zr\n0.000000 0.333323 0.666646 Zr\n0.749998 0.256357 0.000000 Ti\n0.750002 0.743638 0.743651 Ti\n0.750002 0.999987 0.256349 Ti\n0.249998 0.743643 0.000000 Ti\n0.250002 0.256362 0.256349 Ti\n0.250002 0.000013 0.743651 Ti\n0.750002 0.623531 0.000000 Si\n0.749999 0.376521 0.376510 Si\n0.749999 0.000011 0.623490 Si\n0.250002 0.376469 0.000000 Si\n0.249999 0.623479 0.623490 Si\n0.249999 0.999989 0.376510 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Si"
],
"chemical_system": "Si-Ti-Zr",
"density": 4.83569347580165,
"density_atomic": 0.05677959821363323,
"volume": 281.7913564622279,
"volume_molar": 10.60617008479295,
"formula_full": "Zr4 Ti6 Si6",
"formula_reduced": "Zr2(TiSi)3",
"formula_anonymous": "A2B3C3",
"energy": -123.83626227,
"energy_per_atom": -7.739766391875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -124.26226227,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0016665,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.763000Z",
"spacegroup": 193
},
{
"id": "mp-1215829",
"created_at": "2022-09-04T14:40:23.852383Z",
"structure_string": "Zr4 Ti6 Ga6\n1.0\n0.000000 0.000000 -5.582673\n-7.840724 0.002674 0.000000\n-3.922677 6.788929 0.000000\nZr Ti Ga\n4 6 6\ndirect\n0.500000 0.333350 0.333331 Zr\n0.500000 0.666669 0.666650 Zr\n0.000000 0.666650 0.666669 Zr\n0.000000 0.333331 0.333350 Zr\n0.749998 0.234259 0.765741 Ti\n0.750001 0.765323 0.999943 Ti\n0.750001 0.000057 0.234677 Ti\n0.249998 0.765741 0.234259 Ti\n0.250001 0.234677 0.000057 Ti\n0.250001 0.999943 0.765323 Ti\n0.749990 0.616447 0.383553 Ga\n0.750005 0.383576 0.000100 Ga\n0.750005 0.999900 0.616424 Ga\n0.249990 0.383553 0.616447 Ga\n0.250005 0.616424 0.999900 Ga\n0.250005 0.000100 0.383576 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ti",
"Ga"
],
"chemical_system": "Ga-Ti-Zr",
"density": 5.982679924561277,
"density_atomic": 0.05385250965428651,
"volume": 297.10778759827855,
"volume_molar": 11.18265573630635,
"formula_full": "Zr4 Ti6 Ga6",
"formula_reduced": "Zr2(TiGa)3",
"formula_anonymous": "A2B3C3",
"energy": -105.06804213,
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"updated_at": "2021-11-28T01:34:45.740000Z",
"spacegroup": 193
}
]
}