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{
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{
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"structure_string": "Li18 Nd12 Sb6 Te2 O48\n1.0\n11.101797 0.000000 0.000000\n-3.711696 10.464232 0.000000\n-3.561007 -5.289125 9.131375\nLi Nd Sb Te O\n18 12 6 2 48\ndirect\n0.881974 0.871119 0.839678 Li\n0.248323 0.870834 0.870744 Li\n0.393089 0.643329 0.706875 Li\n0.880301 0.136270 0.725198 Li\n0.757814 0.632206 0.619223 Li\n0.626038 0.249574 0.625620 Li\n0.371984 0.749127 0.377957 Li\n0.255689 0.388216 0.394947 Li\n0.147274 0.851632 0.253610 Li\n0.611325 0.368868 0.263802 Li\n0.787334 0.605679 0.009566 Li\n0.702648 0.129395 0.164035 Li\n0.208569 0.309129 0.258100 Li\n0.797297 0.092878 0.958627 Li\n0.105205 0.029658 0.211394 Li\n0.127666 0.251494 0.121040 Li\n0.261108 0.460941 0.924416 Li\n0.929476 0.182593 0.107952 Li\n0.622005 0.881586 0.744940 Nd\n0.751575 0.375513 0.860940 Nd\n0.377113 0.242531 0.866628 Nd\n0.124318 0.756023 0.616173 Nd\n0.129314 0.376208 0.733989 Nd\n0.735498 0.862773 0.385682 Nd\n0.261187 0.124659 0.617858 Nd\n0.867570 0.241980 0.390967 Nd\n0.867675 0.618886 0.264718 Nd\n0.607003 0.736753 0.147235 Nd\n0.249871 0.634192 0.128664 Nd\n0.384569 0.116765 0.253991 Nd\n0.497971 0.999048 0.996074 Sb\n0.997224 0.991175 0.004736 Sb\n0.499616 0.494624 0.507689 Sb\n0.500498 0.999803 0.503469 Sb\n0.000246 0.495991 0.499651 Sb\n0.004177 0.002256 0.497908 Sb\n0.505433 0.503817 0.993704 Te\n0.997721 0.497113 0.998178 Te\n0.677850 0.974650 0.907189 O\n0.894923 0.317657 0.987157 O\n0.932397 0.588681 0.873787 O\n0.672677 0.687225 0.934532 O\n0.405690 0.877876 0.920674 O\n0.427235 0.616027 0.900984 O\n0.596818 0.478785 0.828916 O\n0.807511 0.835956 0.567861 O\n0.908594 0.579723 0.614842 O\n0.917397 0.324227 0.700049 O\n0.298156 0.913256 0.671327 O\n0.113052 0.187222 0.992251 O\n0.578766 0.197799 0.826679 O\n0.173710 0.553623 0.821511 O\n0.533097 0.832690 0.587282 O\n0.032248 0.914945 0.664319 O\n0.376593 0.465936 0.710821 O\n0.194105 0.025149 0.875047 O\n0.698789 0.616884 0.475838 O\n0.879165 0.078698 0.588442 O\n0.828380 0.404375 0.471104 O\n0.475408 0.297879 0.620153 O\n0.387831 0.911991 0.414328 O\n0.996473 0.109099 0.823707 O\n0.978331 0.877664 0.198924 O\n0.616325 0.088714 0.587411 O\n0.519007 0.691587 0.392514 O\n0.171505 0.589544 0.528520 O\n0.127005 0.929529 0.391755 O\n0.298304 0.372889 0.539979 O\n0.805569 0.986369 0.126342 O\n0.612660 0.523835 0.304638 O\n0.004731 0.112502 0.312035 O\n0.476728 0.171083 0.408278 O\n0.824695 0.439693 0.174985 O\n0.417627 0.801444 0.171963 O\n0.865891 0.795356 0.032061 O\n0.709892 0.086645 0.331780 O\n0.098071 0.414704 0.378838 O\n0.078952 0.661488 0.299747 O\n0.206710 0.179385 0.414929 O\n0.394034 0.512776 0.170417 O\n0.577251 0.387636 0.090988 O\n0.602415 0.120673 0.067320 O\n0.323997 0.319558 0.068519 O\n0.064078 0.387967 0.115655 O\n0.097562 0.661942 0.021108 O\n0.325801 0.030420 0.093622 O\n",
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"density_atomic": 0.049928541968779466,
"volume": 580.8300995076889,
"volume_molar": 12.061519368552101,
"formula_full": "Mg16 Al12 Zn1",
"formula_reduced": "Mg16Al12Zn",
"formula_anonymous": "AB12C16",
"energy": -72.28396522,
"energy_per_atom": -2.4925505248275863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.28396522,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.809000Z",
"spacegroup": 217
}
]
}