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{
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"created_at": "2022-09-04T14:42:54.879141Z",
"structure_string": "Zn4 Mo8 O16\n1.0\n5.528324 0.000000 0.000000\n0.000000 6.437395 0.000000\n0.000000 0.000000 10.463625\nZn Mo O\n4 8 16\ndirect\n0.862066 0.000000 0.500000 Zn\n0.137934 0.500000 0.000000 Zn\n0.549426 0.000000 0.000000 Zn\n0.450574 0.500000 0.500000 Zn\n0.516584 0.500000 0.229537 Mo\n0.516584 0.500000 0.770463 Mo\n0.483416 0.000000 0.270463 Mo\n0.483416 0.000000 0.729537 Mo\n0.000000 0.250000 0.250000 Mo\n0.000000 0.750000 0.750000 Mo\n0.000000 0.750000 0.250000 Mo\n0.000000 0.250000 0.750000 Mo\n0.872532 0.500000 0.136128 O\n0.872532 0.500000 0.863872 O\n0.127468 0.000000 0.363872 O\n0.127468 0.000000 0.636128 O\n0.202524 0.500000 0.348053 O\n0.202524 0.500000 0.651947 O\n0.797476 0.000000 0.151947 O\n0.797476 0.000000 0.848053 O\n0.664722 0.256992 0.362000 O\n0.664722 0.743008 0.638000 O\n0.335278 0.756992 0.138000 O\n0.335278 0.243008 0.862000 O\n0.335278 0.243008 0.138000 O\n0.335278 0.756992 0.862000 O\n0.664722 0.743008 0.362000 O\n0.664722 0.256992 0.638000 O\n",
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{
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"id": "mp-1042107",
"created_at": "2022-09-04T14:39:48.943673Z",
"structure_string": "Al2 W6 O16\n1.0\n5.241060 0.000000 0.000000\n-0.074735 5.612700 0.000000\n-0.033609 -0.015360 9.323157\nAl W O\n2 6 16\ndirect\n0.251924 0.334652 0.751199 Al\n0.748076 0.665348 0.248801 Al\n0.759541 0.637764 0.749258 W\n0.240459 0.362236 0.250742 W\n0.244679 0.845241 0.501496 W\n0.256729 0.837508 0.995616 W\n0.755321 0.154759 0.498504 W\n0.743271 0.162492 0.004384 W\n0.412758 0.602573 0.858643 O\n0.083702 0.597028 0.638881 O\n0.587242 0.397427 0.141357 O\n0.916298 0.402972 0.361119 O\n0.405399 0.125490 0.384273 O\n0.103511 0.129775 0.115991 O\n0.594601 0.874510 0.615727 O\n0.896489 0.870225 0.884009 O\n0.933777 0.370764 0.857179 O\n0.573234 0.379054 0.642360 O\n0.066223 0.629236 0.142821 O\n0.426766 0.620946 0.357640 O\n0.403800 0.118987 0.881835 O\n0.596200 0.881013 0.118165 O\n0.097565 0.114509 0.621401 O\n0.902435 0.885491 0.378599 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"W",
"O"
],
"chemical_system": "Al-O-W",
"density": 8.555301032183017,
"density_atomic": 0.08750991917649154,
"volume": 274.25462422832754,
"volume_molar": 6.881666463266228,
"formula_full": "Al2 W6 O16",
"formula_reduced": "AlW3O8",
"formula_anonymous": "AB3C8",
"energy": -219.66168027000003,
"energy_per_atom": -9.15257001125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.04168027,
"band_gap": 1.4906999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.713000Z",
"spacegroup": 2
}
]
}