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{
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{
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{
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{
"id": "mp-1194232",
"created_at": "2022-09-04T14:48:15.773054Z",
"structure_string": "K8 Eu2 P4 Se16\n1.0\n-4.626229 5.173856 9.622701\n4.626229 -5.173856 9.622701\n4.626229 5.173856 -9.622701\nK Eu P Se\n8 2 4 16\ndirect\n0.415703 0.299137 0.883434 K\n0.584297 0.700863 0.116566 K\n0.084297 0.467732 0.383434 K\n0.915703 0.532268 0.616566 K\n0.009609 0.759609 0.250000 K\n0.490391 0.240391 0.250000 K\n0.990391 0.240391 0.750000 K\n0.509609 0.759609 0.750000 K\n0.250000 0.000000 0.250000 Eu\n0.750000 0.000000 0.750000 Eu\n0.870967 0.076259 0.205292 P\n0.129033 0.923741 0.794708 P\n0.629033 0.334326 0.705292 P\n0.370967 0.665675 0.294708 P\n0.097423 0.222514 0.473774 Se\n0.251260 0.777486 0.874909 Se\n0.402577 0.376351 0.625091 Se\n0.248740 0.623649 0.026226 Se\n0.902577 0.777486 0.526226 Se\n0.748740 0.222514 0.125091 Se\n0.597423 0.623649 0.374909 Se\n0.751260 0.376351 0.973774 Se\n0.395684 0.927633 0.531949 Se\n0.604316 0.072367 0.468051 Se\n0.104316 0.136264 0.031949 Se\n0.895684 0.863736 0.968051 Se\n0.242006 0.988391 0.746386 Se\n0.757994 0.011609 0.253614 Se\n0.257994 0.504380 0.246386 Se\n0.742006 0.495620 0.753614 Se\n",
"nsites": 30,
"nelements": 4,
"elements": [
"K",
"Eu",
"P",
"Se"
],
"chemical_system": "Eu-K-P-Se",
"density": 3.611950142705124,
"density_atomic": 0.032562879948141686,
"volume": 921.2944324266396,
"volume_molar": 18.49388251159177,
"formula_full": "K8 Eu2 P4 Se16",
"formula_reduced": "K4Eu(PSe4)2",
"formula_anonymous": "AB2C4D8",
"energy": -142.16232392,
"energy_per_atom": -4.738744130666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.61032392,
"band_gap": 0.3245999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9985017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:45.424000Z",
"spacegroup": 72
}
]
}