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{
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"structure_string": "Gd2 Ru2 C4\n1.0\n2.188293 -4.652692 0.000000\n2.188293 4.652692 0.000000\n0.000000 0.000000 5.250349\nGd Ru C\n2 2 4\ndirect\n0.183032 0.816968 0.250000 Gd\n0.816968 0.183032 0.750000 Gd\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.927385 0.758142 0.750000 C\n0.758142 0.927385 0.250000 C\n0.072615 0.241858 0.250000 C\n0.241858 0.072615 0.750000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Gd",
"Ru",
"C"
],
"chemical_system": "C-Gd-Ru",
"density": 8.770527478237499,
"density_atomic": 0.07482763920791864,
"volume": 106.91236666936565,
"volume_molar": 8.048016513345654,
"formula_full": "Gd2 Ru2 C4",
"formula_reduced": "GdRuC2",
"formula_anonymous": "ABC2",
"energy": -85.14615734,
"energy_per_atom": -10.6432696675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.14615734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.7483424,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.661000Z",
"spacegroup": 63
},
{
"id": "mp-757331",
"created_at": "2022-09-04T14:42:18.060233Z",
"structure_string": "Gd6 Y10 O24\n1.0\n9.312817 0.000000 0.000000\n-3.102937 8.787477 0.000000\n-3.099986 -4.390657 7.612927\nGd Y O\n6 10 24\ndirect\n0.468069 0.250259 0.718858 Gd\n0.533042 0.749871 0.282760 Gd\n0.031586 0.749209 0.781309 Gd\n0.750906 0.218293 0.467343 Gd\n0.249326 0.282476 0.032101 Gd\n0.281203 0.032169 0.249984 Gd\n0.500783 0.999133 0.999275 Y\n0.716661 0.966513 0.750621 Y\n0.749412 0.717397 0.967307 Y\n0.249839 0.781629 0.532904 Y\n0.966308 0.250330 0.216430 Y\n0.498950 0.500969 0.500850 Y\n0.999967 0.999643 0.499064 Y\n0.217009 0.467025 0.749106 Y\n0.999755 0.499961 0.000595 Y\n0.784256 0.533640 0.250120 Y\n0.731339 0.459771 0.970686 O\n0.510627 0.039788 0.771741 O\n0.262570 0.030965 0.988393 O\n0.457427 0.728201 0.490937 O\n0.235984 0.227997 0.767663 O\n0.043187 0.531978 0.271004 O\n0.768046 0.738789 0.728341 O\n0.989195 0.760662 0.529356 O\n0.468864 0.512958 0.740688 O\n0.728451 0.270532 0.235653 O\n0.965203 0.229454 0.957837 O\n0.227620 0.986919 0.458605 O\n0.272787 0.728538 0.759996 O\n0.773815 0.010541 0.544485 O\n0.533974 0.489554 0.263326 O\n0.028681 0.768679 0.041546 O\n0.012229 0.239271 0.467578 O\n0.228931 0.263220 0.273120 O\n0.763395 0.772307 0.229592 O\n0.959890 0.468213 0.731690 O\n0.542135 0.274307 0.511298 O\n0.739753 0.968358 0.011413 O\n0.268930 0.541968 0.029595 O\n0.489896 0.958513 0.226831 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Gd",
"Y",
"O"
],
"chemical_system": "Gd-O-Y",
"density": 5.907837458550266,
"density_atomic": 0.06420414333265068,
"volume": 623.0127515720346,
"volume_molar": 9.37967621310426,
"formula_full": "Gd6 Y10 O24",
"formula_reduced": "Gd3Y5O12",
"formula_anonymous": "A3B5C12",
"energy": -425.73248084,
"energy_per_atom": -10.643312021,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -409.24448084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 42.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.378000Z",
"spacegroup": 1
}
]
}