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{
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{
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"structure_string": "Cr9 Fe1 B6\n1.0\n-2.692111 2.692111 5.019171\n2.692111 -2.692111 5.019171\n2.692111 2.692111 -5.019171\nCr Fe B\n9 1 6\ndirect\n0.521527 0.025032 0.842176 Cr\n0.182856 0.679351 0.157824 Cr\n0.025032 0.182856 0.503505 Cr\n0.679351 0.521527 0.496495 Cr\n0.478473 0.974968 0.157824 Cr\n0.817144 0.320649 0.842176 Cr\n0.974968 0.817144 0.496495 Cr\n0.320649 0.478473 0.503505 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.884342 0.376373 0.260715 B\n0.115658 0.623627 0.739285 B\n0.376373 0.115658 0.492032 B\n0.623627 0.884342 0.507968 B\n0.251216 0.251216 0.000000 B\n0.748784 0.748784 0.000000 B\n",
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{
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"structure_string": "Ti4 Nb3 Al9\n1.0\n5.677711 0.000000 0.000000\n0.000000 5.677711 0.000000\n0.000000 0.000000 8.166280\nTi Nb Al\n4 3 9\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.500000 Nb\n0.000000 0.500000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Al\n0.249406 0.249406 0.249952 Al\n0.750594 0.750594 0.750048 Al\n0.750594 0.750594 0.249952 Al\n0.750594 0.249406 0.249952 Al\n0.750594 0.249406 0.750048 Al\n0.249406 0.249406 0.750048 Al\n0.249406 0.750594 0.750048 Al\n0.249406 0.750594 0.249952 Al\n",
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{
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"density_atomic": 0.03100400135755265,
"volume": 96.76170392984429,
"volume_molar": 19.423753374765585,
"formula_full": "K1 Sr1 N1",
"formula_reduced": "KSrN",
"formula_anonymous": "ABC",
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -11.18561173,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:30.718000Z",
"spacegroup": 160
},
{
"id": "mp-867174",
"created_at": "2022-09-04T14:39:05.928391Z",
"structure_string": "Sr1 Li2 Pb1\n1.0\n0.000000 3.637507 3.637507\n3.637507 0.000000 3.637507\n3.637507 3.637507 0.000000\nSr Li Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Pb"
],
"chemical_system": "Li-Pb-Sr",
"density": 5.325336209804693,
"density_atomic": 0.041554540315062984,
"volume": 96.25903618888191,
"volume_molar": 14.492136633784519,
"formula_full": "Sr1 Li2 Pb1",
"formula_reduced": "SrLi2Pb",
"formula_anonymous": "ABC2",
"energy": -10.8035206,
"energy_per_atom": -2.70088015,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -10.8035206,
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"is_magnetic": false,
"total_magnetization": 0.0002074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.307000Z",
"spacegroup": 225
}
]
}