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{
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{
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{
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"id": "mp-1208764",
"created_at": "2022-09-04T14:42:44.974351Z",
"structure_string": "U8 Si28 Ru48\n1.0\n4.013076 0.000000 0.000000\n0.000000 11.282645 0.000000\n0.000000 0.000000 26.433501\nU Si Ru\n8 28 48\ndirect\n0.250000 0.793593 0.212143 U\n0.750000 0.206407 0.787857 U\n0.750000 0.706407 0.712143 U\n0.250000 0.293592 0.287857 U\n0.250000 0.835838 0.435575 U\n0.750000 0.164162 0.564425 U\n0.750000 0.664162 0.935575 U\n0.250000 0.335838 0.064425 U\n0.250000 0.066288 0.132871 Si\n0.750000 0.933712 0.867129 Si\n0.750000 0.433712 0.632871 Si\n0.250000 0.566288 0.367129 Si\n0.250000 0.826484 0.790699 Si\n0.750000 0.173516 0.209301 Si\n0.750000 0.673516 0.290699 Si\n0.250000 0.326484 0.709301 Si\n0.250000 0.737956 0.631270 Si\n0.750000 0.262044 0.368730 Si\n0.750000 0.762044 0.131270 Si\n0.250000 0.237956 0.868730 Si\n0.250000 0.532605 0.565316 Si\n0.750000 0.467395 0.434684 Si\n0.750000 0.967395 0.065316 Si\n0.250000 0.032605 0.934684 Si\n0.250000 0.816389 0.998795 Si\n0.750000 0.183611 0.001205 Si\n0.750000 0.683611 0.498795 Si\n0.250000 0.316389 0.501205 Si\n0.250000 0.955178 0.560189 Si\n0.750000 0.044822 0.439811 Si\n0.750000 0.544822 0.060189 Si\n0.250000 0.455178 0.939811 Si\n0.250000 0.984811 0.316350 Si\n0.750000 0.015189 0.683650 Si\n0.750000 0.515189 0.816350 Si\n0.250000 0.484811 0.183650 Si\n0.250000 0.535632 0.665668 Ru\n0.750000 0.464368 0.334332 Ru\n0.750000 0.964368 0.165668 Ru\n0.250000 0.035632 0.834332 Ru\n0.250000 0.752461 0.541978 Ru\n0.750000 0.247539 0.458022 Ru\n0.750000 0.747539 0.041978 Ru\n0.250000 0.252461 0.958022 Ru\n0.250000 0.580139 0.868792 Ru\n0.750000 0.419861 0.131208 Ru\n0.750000 0.919861 0.368792 Ru\n0.250000 0.080139 0.631208 Ru\n0.250000 0.592478 0.007506 Ru\n0.750000 0.407522 0.992494 Ru\n0.750000 0.907522 0.507506 Ru\n0.250000 0.092478 0.492494 Ru\n0.250000 0.880989 0.696095 Ru\n0.750000 0.119011 0.303905 Ru\n0.750000 0.619011 0.196095 Ru\n0.250000 0.380989 0.803905 Ru\n0.250000 0.770055 0.328495 Ru\n0.750000 0.229945 0.671505 Ru\n0.750000 0.729945 0.828495 Ru\n0.250000 0.270055 0.171505 Ru\n0.250000 0.554774 0.270238 Ru\n0.750000 0.445226 0.729762 Ru\n0.750000 0.945226 0.770238 Ru\n0.250000 0.054774 0.229762 Ru\n0.250000 0.608579 0.764808 Ru\n0.750000 0.391421 0.235192 Ru\n0.750000 0.891421 0.264808 Ru\n0.250000 0.108579 0.735192 Ru\n0.250000 0.620065 0.112226 Ru\n0.750000 0.379935 0.887774 Ru\n0.750000 0.879935 0.612226 Ru\n0.250000 0.120065 0.387774 Ru\n0.250000 0.069671 0.032369 Ru\n0.750000 0.930329 0.967631 Ru\n0.750000 0.430329 0.532369 Ru\n0.250000 0.569671 0.467631 Ru\n0.250000 0.819448 0.897197 Ru\n0.750000 0.180552 0.102803 Ru\n0.750000 0.680552 0.397197 Ru\n0.250000 0.319448 0.602803 Ru\n0.250000 0.868144 0.096564 Ru\n0.750000 0.131856 0.903436 Ru\n0.750000 0.631856 0.596564 Ru\n0.250000 0.368144 0.403436 Ru\n",
"nsites": 84,
"nelements": 3,
"elements": [
"U",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-U",
"density": 10.46385667583644,
"density_atomic": 0.07018370495354324,
"volume": 1196.8590152885515,
"volume_molar": 8.580539833265059,
"formula_full": "U8 Si28 Ru48",
"formula_reduced": "U2Si7Ru12",
"formula_anonymous": "A2B7C12",
"energy": -737.35537768,
"energy_per_atom": -8.77804021047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -737.35537768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.767000Z",
"spacegroup": 62
}
]
}