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{
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{
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{
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"structure_string": "Ta4 Cr4 P4\n1.0\n3.532657 0.000000 0.000000\n0.000000 6.233713 0.000000\n0.000000 0.000000 7.374797\nTa Cr P\n4 4 4\ndirect\n0.250000 0.031250 0.828100 Ta\n0.250000 0.531250 0.671900 Ta\n0.750000 0.968750 0.171900 Ta\n0.750000 0.468750 0.328100 Ta\n0.250000 0.144649 0.440766 Cr\n0.250000 0.644649 0.059234 Cr\n0.750000 0.855351 0.559234 Cr\n0.750000 0.355351 0.940766 Cr\n0.250000 0.769617 0.367446 P\n0.250000 0.269617 0.132554 P\n0.750000 0.230383 0.632554 P\n0.750000 0.730383 0.867446 P\n",
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.60993366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9991969,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.304000Z",
"spacegroup": 11
},
{
"id": "mp-1219",
"created_at": "2022-09-04T14:42:28.547789Z",
"structure_string": "Ba1 Ga2\n1.0\n2.240176 -3.880098 0.000000\n2.240176 3.880098 0.000000\n0.000000 0.000000 5.110307\nBa Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Ga"
],
"chemical_system": "Ba-Ga",
"density": 5.173339704857009,
"density_atomic": 0.03376909587934385,
"volume": 88.83862365515874,
"volume_molar": 17.83328988586772,
"formula_full": "Ba1 Ga2",
"formula_reduced": "BaGa2",
"formula_anonymous": "AB2",
"energy": -9.3650975,
"energy_per_atom": -3.1216991666666662,
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"band_gap": 0.0,
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"total_magnetization": 0.0050836,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.749000Z",
"spacegroup": 191
}
]
}