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"elements": [
"Ca",
"Ce",
"Mg"
],
"chemical_system": "Ca-Ce-Mg",
"density": 2.1976795050463718,
"density_atomic": 0.04068595815835109,
"volume": 393.2560697655804,
"volume_molar": 14.801521292829408,
"formula_full": "Ca1 Ce1 Mg14",
"formula_reduced": "CaCeMg14",
"formula_anonymous": "ABC14",
"energy": -29.45039809,
"energy_per_atom": -1.840649880625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.45039809,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0732306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.333000Z",
"spacegroup": 38
},
{
"id": "mp-1212425",
"created_at": "2022-09-04T14:47:01.336788Z",
"structure_string": "K4 P8 Pt2 W2 Cl2 O20\n1.0\n8.387092 -0.573139 -0.253035\n-3.697983 6.903994 -4.657026\n1.457820 1.026012 10.661755\nK P Pt W Cl O\n4 8 2 2 2 20\ndirect\n0.226735 0.090318 0.855385 K\n0.773265 0.909682 0.144615 K\n0.118747 0.719361 0.955781 K\n0.881253 0.280639 0.044219 K\n0.217693 0.318787 0.623464 P\n0.782307 0.681213 0.376536 P\n0.242292 0.124063 0.323368 P\n0.757708 0.875937 0.676632 P\n0.704116 0.300871 0.394171 P\n0.295884 0.699129 0.605829 P\n0.301424 0.480413 0.288331 P\n0.698576 0.519587 0.711669 P\n0.507656 0.403208 0.355660 Pt\n0.492344 0.596792 0.644340 Pt\n0.213853 0.795031 0.406538 W\n0.786147 0.204969 0.593462 W\n0.515015 0.240311 0.096144 Cl\n0.484985 0.759689 0.903856 Cl\n0.169002 0.323101 0.156395 O\n0.830998 0.676899 0.843605 O\n0.291028 0.990426 0.348349 O\n0.708972 0.009574 0.651651 O\n0.046633 0.351604 0.686235 O\n0.953367 0.648396 0.313765 O\n0.124276 0.189832 0.452068 O\n0.875724 0.810168 0.547932 O\n0.243808 0.195914 0.666109 O\n0.756192 0.804086 0.333891 O\n0.363809 0.672794 0.283321 O\n0.636191 0.327206 0.716679 O\n0.118068 0.008900 0.184648 O\n0.881932 0.991100 0.815352 O\n0.183222 0.549236 0.433441 O\n0.816778 0.450764 0.566559 O\n0.645241 0.115887 0.410213 O\n0.354759 0.884113 0.589787 O\n0.168687 0.712436 0.712851 O\n0.831313 0.287564 0.287149 O\n",
"nsites": 38,
"nelements": 6,
"elements": [
"K",
"P",
"Pt",
"W",
"Cl",
"O"
],
"chemical_system": "Cl-K-O-P-Pt-W",
"density": 4.0151640921183676,
"density_atomic": 0.059168046878955445,
"volume": 642.238539286914,
"volume_molar": 10.178028644954175,
"formula_full": "K4 P8 Pt2 W2 Cl2 O20",
"formula_reduced": "K2P4PtWClO10",
"formula_anonymous": "ABCD2E4F10",
"energy": -267.18906121000003,
"energy_per_atom": -7.031291084473685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -243.34506121,
"band_gap": 1.7432999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.000852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.333000Z",
"spacegroup": 2
}
]
}