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{
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{
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{
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{
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{
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"structure_string": "Sc1 Sb1 Rh2\n1.0\n0.000000 3.237621 3.237621\n3.237621 0.000000 3.237621\n3.237621 3.237621 0.000000\nSc Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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"nelements": 3,
"elements": [
"Sc",
"Sb",
"Rh"
],
"chemical_system": "Rh-Sb-Sc",
"density": 9.1137839535697,
"density_atomic": 0.05893210726595015,
"volume": 67.87471525409246,
"volume_molar": 10.2187772326266,
"formula_full": "Sc1 Sb1 Rh2",
"formula_reduced": "ScSbRh2",
"formula_anonymous": "ABC2",
"energy": -28.32942583,
"energy_per_atom": -7.0823564575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.32942583,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0015589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.857000Z",
"spacegroup": 225
},
{
"id": "mp-1206074",
"created_at": "2022-09-04T14:42:57.260003Z",
"structure_string": "Nd2 P3 Rh3\n1.0\n2.902727 0.000000 0.000000\n0.000000 2.902727 0.000000\n0.000000 0.000000 19.781509\nNd P Rh\n2 3 3\ndirect\n0.500000 0.500000 0.753787 Nd\n0.500000 0.500000 0.246213 Nd\n0.500000 0.500000 0.387619 P\n0.500000 0.500000 0.612381 P\n0.500000 0.500000 0.000000 P\n0.500000 0.500000 0.107259 Rh\n0.500000 0.500000 0.892741 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"P",
"Rh"
],
"chemical_system": "Nd-P-Rh",
"density": 6.87548013974646,
"density_atomic": 0.04799745210008064,
"volume": 166.67551401101474,
"volume_molar": 12.546792582746036,
"formula_full": "Nd2 P3 Rh3",
"formula_reduced": "Nd2(PRh)3",
"formula_anonymous": "A2B3C3",
"energy": -43.95880464,
"energy_per_atom": -5.49485058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.95880464,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0650224,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.666000Z",
"spacegroup": 123
},
{
"id": "mp-1188136",
"created_at": "2022-09-04T14:42:54.637603Z",
"structure_string": "Ce4 B8 Ru4\n1.0\n0.000000 -5.382268 0.000000\n-5.930434 0.000000 0.000000\n0.000000 0.000000 -6.483914\nCe B Ru\n4 8 4\ndirect\n0.750000 0.500025 0.155777 Ce\n0.750000 0.000025 0.344223 Ce\n0.250000 0.499975 0.844223 Ce\n0.250000 0.999975 0.655777 Ce\n0.910688 0.122960 0.962365 B\n0.589312 0.622960 0.537635 B\n0.410688 0.877040 0.037635 B\n0.089312 0.377040 0.462365 B\n0.089312 0.877040 0.037635 B\n0.410688 0.377040 0.462365 B\n0.589312 0.122960 0.962365 B\n0.910688 0.622960 0.537635 B\n0.750000 0.309342 0.684786 Ru\n0.750000 0.809342 0.815214 Ru\n0.250000 0.690658 0.315214 Ru\n0.250000 0.190658 0.184786 Ru\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"B",
"Ru"
],
"chemical_system": "B-Ce-Ru",
"density": 8.43448612739916,
"density_atomic": 0.07730915758274974,
"volume": 206.9612514257966,
"volume_molar": 7.789686174699361,
"formula_full": "Ce4 B8 Ru4",
"formula_reduced": "CeB2Ru",
"formula_anonymous": "ABC2",
"energy": -123.62603849,
"energy_per_atom": -7.726627405625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -123.62603849,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0036973,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.408000Z",
"spacegroup": 62
}
]
}