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{
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{
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{
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{
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"id": "mp-560254",
"created_at": "2022-09-04T14:39:11.485661Z",
"structure_string": "Rb4 H12 W4 O28\n1.0\n6.541848 0.000000 0.000000\n-2.102857 8.013776 0.000000\n-0.647565 -3.931944 12.029665\nRb H W O\n4 12 4 28\ndirect\n0.216001 0.242519 0.860700 Rb\n0.098629 0.262494 0.539111 Rb\n0.783999 0.757481 0.139300 Rb\n0.901371 0.737506 0.460889 Rb\n0.397530 0.006910 0.082222 H\n0.603380 0.574817 0.666843 H\n0.362089 0.691318 0.275316 H\n0.673100 0.491428 0.812590 H\n0.326900 0.508572 0.187410 H\n0.781096 0.749551 0.728060 H\n0.602470 0.993090 0.917778 H\n0.218904 0.250449 0.271940 H\n0.637911 0.308682 0.724684 H\n0.164562 0.022921 0.065523 H\n0.396620 0.425183 0.333157 H\n0.835438 0.977079 0.934477 H\n0.184327 0.707063 0.875416 W\n0.560514 0.125030 0.342411 W\n0.439486 0.874970 0.657589 W\n0.815673 0.292937 0.124584 W\n0.762218 0.363651 0.411673 O\n0.573899 0.325798 0.040565 O\n0.783546 0.397616 0.004339 O\n0.714467 0.059172 0.731070 O\n0.643790 0.292589 0.494476 O\n0.356210 0.707411 0.505524 O\n0.334605 0.304853 0.336728 O\n0.237782 0.636349 0.588327 O\n0.113515 0.299516 0.090269 O\n0.573283 0.405476 0.748436 O\n0.266110 0.963740 0.027271 O\n0.426717 0.594524 0.251564 O\n0.665395 0.695147 0.663272 O\n0.887122 0.486946 0.238101 O\n0.734725 0.994186 0.349064 O\n0.305211 0.996982 0.393578 O\n0.112878 0.513054 0.761899 O\n0.610590 0.142476 0.190268 O\n0.285533 0.940828 0.268930 O\n0.265275 0.005814 0.650936 O\n0.694789 0.003018 0.606422 O\n0.216454 0.602384 0.995661 O\n0.733890 0.036260 0.972729 O\n0.957625 0.827074 0.845608 O\n0.886485 0.700484 0.909731 O\n0.389410 0.857524 0.809732 O\n0.042375 0.172926 0.154392 O\n0.426101 0.674202 0.959435 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Rb",
"H",
"W",
"O"
],
"chemical_system": "H-O-Rb-W",
"density": 4.047802161208972,
"density_atomic": 0.07611146056200713,
"volume": 630.6540387685105,
"volume_molar": 7.91226540068014,
"formula_full": "Rb4 H12 W4 O28",
"formula_reduced": "RbH3WO7",
"formula_anonymous": "ABC3D7",
"energy": -307.00308402,
"energy_per_atom": -6.39589758375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.01508402,
"band_gap": 3.1943,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.304000Z",
"spacegroup": 2
}
]
}