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{
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{
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{
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{
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{
"id": "mp-1183378",
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"structure_string": "Ba1 Pa3\n1.0\n-2.396989 2.396989 4.831099\n2.396989 -2.396989 4.831099\n2.396989 2.396989 -4.831099\nBa Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250001 0.499999 Pa\n0.250001 0.750000 0.499999 Pa\n0.500000 0.500000 0.000000 Pa\n",
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{
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{
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{
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"Ir"
],
"chemical_system": "Ir-Mn",
"density": 12.625386765022782,
"density_atomic": 0.08518232593320828,
"volume": 93.9161957877603,
"volume_molar": 7.069706883470145,
"formula_full": "Mn6 Ir2",
"formula_reduced": "Mn3Ir",
"formula_anonymous": "AB3",
"energy": -73.84953245,
"energy_per_atom": -9.23119155625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -73.84953245,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2391248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.038000Z",
"spacegroup": 194
},
{
"id": "mp-1201182",
"created_at": "2022-09-04T14:47:13.366320Z",
"structure_string": "Eu4 Ni34\n1.0\n0.000000 0.000000 -8.153786\n-4.168754 -7.249752 0.000000\n-4.168754 7.249752 0.000000\nEu Ni\n4 34\ndirect\n0.750000 0.000561 0.999439 Eu\n0.250000 0.999439 0.000561 Eu\n0.250000 0.666876 0.333124 Eu\n0.750000 0.333124 0.666876 Eu\n0.605681 0.666295 0.333705 Ni\n0.394319 0.333705 0.666295 Ni\n0.105681 0.333705 0.666295 Ni\n0.894319 0.666295 0.333705 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.750000 0.669348 0.042661 Ni\n0.750000 0.373548 0.330905 Ni\n0.750000 0.958139 0.627031 Ni\n0.750000 0.372969 0.041861 Ni\n0.750000 0.957339 0.330652 Ni\n0.750000 0.669095 0.626452 Ni\n0.250000 0.330652 0.957339 Ni\n0.250000 0.626452 0.669095 Ni\n0.250000 0.041861 0.372969 Ni\n0.250000 0.627031 0.958139 Ni\n0.250000 0.042661 0.669348 Ni\n0.250000 0.330905 0.373548 Ni\n0.487178 0.832335 0.664837 Ni\n0.487711 0.832528 0.167472 Ni\n0.487178 0.335163 0.167665 Ni\n0.512822 0.167665 0.335163 Ni\n0.512289 0.167472 0.832528 Ni\n0.512822 0.664837 0.832335 Ni\n0.987178 0.167665 0.335163 Ni\n0.987711 0.167472 0.832528 Ni\n0.987178 0.664837 0.832335 Ni\n0.012822 0.832335 0.664837 Ni\n0.012289 0.832528 0.167472 Ni\n0.012822 0.335163 0.167665 Ni\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Eu",
"Ni"
],
"chemical_system": "Eu-Ni",
"density": 8.771554100160952,
"density_atomic": 0.07710186327723782,
"volume": 492.8544964388486,
"volume_molar": 7.810629346720172,
"formula_full": "Eu4 Ni34",
"formula_reduced": "Eu2Ni17",
"formula_anonymous": "A2B17",
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"formation_energy": null,
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"is_magnetic": true,
"total_magnetization": 42.6023121,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.706000Z",
"spacegroup": 194
}
]
}