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"created_at": "2022-09-04T14:39:47.169473Z",
"structure_string": "Pr8 Zn8 Rh8\n1.0\n4.058422 0.000000 0.000000\n0.000000 7.337890 0.000000\n0.000000 0.000000 16.648954\nPr Zn Rh\n8 8 8\ndirect\n0.750000 0.452895 0.216526 Pr\n0.750000 0.952895 0.283474 Pr\n0.750000 0.832461 0.060544 Pr\n0.250000 0.047105 0.716526 Pr\n0.250000 0.167539 0.939456 Pr\n0.250000 0.547105 0.783474 Pr\n0.750000 0.332461 0.439456 Pr\n0.250000 0.667539 0.560544 Pr\n0.250000 0.998596 0.439534 Zn\n0.750000 0.501404 0.939534 Zn\n0.750000 0.001404 0.560466 Zn\n0.250000 0.625577 0.349741 Zn\n0.750000 0.374423 0.650259 Zn\n0.750000 0.874423 0.849741 Zn\n0.250000 0.498596 0.060466 Zn\n0.250000 0.125577 0.150259 Zn\n0.250000 0.241885 0.564924 Rh\n0.750000 0.258115 0.064924 Rh\n0.250000 0.247972 0.314139 Rh\n0.750000 0.252028 0.814139 Rh\n0.250000 0.741885 0.935076 Rh\n0.750000 0.752028 0.685861 Rh\n0.750000 0.758115 0.435076 Rh\n0.250000 0.747972 0.185861 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Rh"
],
"chemical_system": "Pr-Rh-Zn",
"density": 8.28503458908907,
"density_atomic": 0.048405631208054134,
"volume": 495.8100824436038,
"volume_molar": 12.440992111260776,
"formula_full": "Pr8 Zn8 Rh8",
"formula_reduced": "PrZnRh",
"formula_anonymous": "ABC",
"energy": -122.36602991,
"energy_per_atom": -5.098584579583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.36602991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0696782,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.212000Z",
"spacegroup": 62
},
{
"id": "mp-1017492",
"created_at": "2022-09-04T14:39:47.109660Z",
"structure_string": "Cs2 La2 Mg12\n1.0\n5.371273 0.000000 0.000000\n0.000000 7.522903 0.000000\n0.000000 0.000000 11.883253\nCs La Mg\n2 2 12\ndirect\n0.500000 0.000000 0.348917 Cs\n0.500000 0.500000 0.848917 Cs\n0.000000 0.000000 0.158069 La\n0.000000 0.500000 0.658069 La\n0.000000 0.704963 0.412286 Mg\n0.000000 0.295037 0.412286 Mg\n0.000000 0.000000 0.656447 Mg\n0.500000 0.753149 0.588720 Mg\n0.500000 0.246851 0.588720 Mg\n0.500000 0.000000 0.834589 Mg\n0.000000 0.204963 0.912286 Mg\n0.000000 0.795037 0.912286 Mg\n0.000000 0.500000 0.156447 Mg\n0.500000 0.253149 0.088720 Mg\n0.500000 0.746851 0.088720 Mg\n0.500000 0.500000 0.334589 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"La",
"Mg"
],
"chemical_system": "Cs-La-Mg",
"density": 2.888578050787824,
"density_atomic": 0.0333213010735904,
"volume": 480.173327105801,
"volume_molar": 18.072946031429105,
"formula_full": "Cs2 La2 Mg12",
"formula_reduced": "CsLaMg6",
"formula_anonymous": "ABC6",
"energy": -26.89084616,
"energy_per_atom": -1.680677885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.89084616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005333,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.578000Z",
"spacegroup": 38
}
]
}