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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": "Ce4 Bi10 Rh6\n1.0\n2.332441 -13.692382 0.000000\n2.332441 13.692382 0.000000\n0.000000 0.000000 7.577222\nCe Bi Rh\n4 10 6\ndirect\n0.474424 0.525576 0.240338 Ce\n0.170800 0.829200 0.273922 Ce\n0.829200 0.170800 0.773922 Ce\n0.525576 0.474424 0.740338 Ce\n0.404243 0.595757 0.615479 Bi\n0.289147 0.710853 0.490141 Bi\n0.710853 0.289147 0.990141 Bi\n0.121124 0.878876 0.748081 Bi\n0.295419 0.704581 0.061750 Bi\n0.953215 0.046785 0.908192 Bi\n0.704581 0.295419 0.561750 Bi\n0.878876 0.121124 0.248081 Bi\n0.046785 0.953215 0.408192 Bi\n0.595757 0.404243 0.115479 Bi\n0.776053 0.223947 0.279843 Rh\n0.603402 0.396598 0.492116 Rh\n0.049587 0.950413 0.025327 Rh\n0.223947 0.776053 0.779843 Rh\n0.950413 0.049587 0.525327 Rh\n0.396598 0.603402 0.992116 Rh\n",
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{
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"energy_per_atom": -0.396261175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.5850447,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0001542,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.408000Z",
"spacegroup": 71
},
{
"id": "mp-11959",
"created_at": "2022-09-04T14:39:40.838964Z",
"structure_string": "Ca2 Sn4 Rh2\n1.0\n2.185960 -5.471232 0.000000\n2.185960 5.471232 0.000000\n0.000000 0.000000 7.634325\nCa Sn Rh\n2 4 2\ndirect\n0.933633 0.066367 0.750000 Ca\n0.066367 0.933633 0.250000 Ca\n0.644881 0.355119 0.952936 Sn\n0.355119 0.644881 0.047064 Sn\n0.355119 0.644881 0.452936 Sn\n0.644881 0.355119 0.547064 Sn\n0.211230 0.788770 0.750000 Rh\n0.788770 0.211230 0.250000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"Rh"
],
"chemical_system": "Ca-Rh-Sn",
"density": 6.91823986842248,
"density_atomic": 0.043808865390020615,
"volume": 182.6114401452257,
"volume_molar": 13.746397461760802,
"formula_full": "Ca2 Sn4 Rh2",
"formula_reduced": "CaSn2Rh",
"formula_anonymous": "ABC2",
"energy": -40.01210838,
"energy_per_atom": -5.0015135475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.01210838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001865,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.010000Z",
"spacegroup": 63
}
]
}