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{
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{
"id": "mp-1183654",
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"structure_string": "Cd6 Pt2\n1.0\n2.999718 -5.195663 0.000000\n2.999718 5.195663 0.000000\n0.000000 0.000000 4.947994\nCd Pt\n6 2\ndirect\n0.171209 0.342418 0.250000 Cd\n0.657582 0.828791 0.250000 Cd\n0.171209 0.828791 0.250000 Cd\n0.828791 0.657582 0.750000 Cd\n0.342418 0.171209 0.750000 Cd\n0.828791 0.171209 0.750000 Cd\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n",
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{
"id": "mp-7898",
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"structure_string": "Rb6 As2\n1.0\n3.091289 -5.354270 0.000000\n3.091289 5.354270 0.000000\n0.000000 0.000000 10.891388\nRb As\n6 2\ndirect\n0.333333 0.666667 0.578275 Rb\n0.666667 0.333333 0.078275 Rb\n0.666667 0.333333 0.421725 Rb\n0.333333 0.666667 0.921725 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.666667 0.333333 0.750000 As\n0.333333 0.666667 0.250000 As\n",
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{
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{
"id": "mp-1187362",
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{
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"created_at": "2022-09-04T14:40:04.093014Z",
"structure_string": "Ba6 Sm2 Ir4 O18\n1.0\n3.481565 -6.030247 0.000000\n3.481565 6.030247 0.000000\n0.000000 0.000000 15.301634\nBa Sm Ir O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.882381 Ba\n0.666667 0.333333 0.382381 Ba\n0.666667 0.333333 0.117619 Ba\n0.333333 0.666667 0.617619 Ba\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666667 0.161590 Ir\n0.666667 0.333333 0.661590 Ir\n0.666667 0.333333 0.838410 Ir\n0.333333 0.666667 0.338410 Ir\n0.452964 0.905928 0.250000 O\n0.547036 0.452964 0.750000 O\n0.905928 0.452964 0.750000 O\n0.094072 0.547036 0.250000 O\n0.452964 0.547036 0.250000 O\n0.547036 0.094072 0.750000 O\n0.863212 0.726424 0.393911 O\n0.136788 0.863212 0.893911 O\n0.726424 0.863212 0.893911 O\n0.273576 0.136788 0.393911 O\n0.863212 0.136788 0.393911 O\n0.136788 0.273576 0.606089 O\n0.136788 0.863212 0.606089 O\n0.136788 0.273576 0.893911 O\n0.726424 0.863212 0.606089 O\n0.273576 0.136788 0.106089 O\n0.863212 0.726424 0.106089 O\n0.863212 0.136788 0.106089 O\n",
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{
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{
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{
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"formula_full": "Ho2 Bi6",
"formula_reduced": "HoBi3",
"formula_anonymous": "AB3",
"energy": -35.00045551,
"energy_per_atom": -4.37505693875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.00045551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.25e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.859000Z",
"spacegroup": 194
}
]
}