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{
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{
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{
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{
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{
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{
"id": "mp-1094269",
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{
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{
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{
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{
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{
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"formula_anonymous": "ABCD4E7",
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"energy_per_atom": -5.88094701875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -314.95303305,
"band_gap": 4.034,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1069191,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.093000Z",
"spacegroup": 53
},
{
"id": "mp-20935",
"created_at": "2022-09-04T14:42:02.509158Z",
"structure_string": "Zr3 Sn3 Ir3\n1.0\n3.687956 -6.387727 0.000000\n3.687956 6.387727 0.000000\n0.000000 0.000000 3.749881\nZr Sn Ir\n3 3 3\ndirect\n0.000000 0.604860 0.500000 Zr\n0.395140 0.395140 0.500000 Zr\n0.604860 0.000000 0.500000 Zr\n0.266956 0.000000 0.000000 Sn\n0.733044 0.733044 0.000000 Sn\n0.000000 0.266956 0.000000 Sn\n0.666667 0.333333 0.000000 Ir\n0.333333 0.666667 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Ir"
],
"chemical_system": "Ir-Sn-Zr",
"density": 11.339135518027406,
"density_atomic": 0.05094047027848348,
"volume": 176.67681414793435,
"volume_molar": 11.82191826474689,
"formula_full": "Zr3 Sn3 Ir3",
"formula_reduced": "ZrSnIr",
"formula_anonymous": "ABC",
"energy": -70.75846492,
"energy_per_atom": -7.862051657777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.75846492,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044849,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.040000Z",
"spacegroup": 189
}
]
}