NaPb12Au7
Alexandria ALEXAlex-ID: agm005802116 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_30_spg148
NaPb2Au Pb2Au NaAu2
2023-07-16 03:16:48.388701
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802116).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005802116
data_agm005802116
_cell_length_a 8.42908
_cell_length_b 8.99520
_cell_length_c 8.99519
_cell_angle_alpha 69.28917
_cell_angle_beta 71.79867
_cell_angle_gamma 108.20113
_cell_volume 533.02475
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1 Na 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.82165 0.55088 0.09889 1.00000
Pb2 Pb 0.07946 0.90111 0.64977 1.00000
Pb3 Pb 0.40140 0.26837 0.16903 1.00000
Pb4 Pb 0.42958 0.83097 0.43739 1.00000
Pb5 Pb 0.72923 0.64977 0.44912 1.00000
Pb6 Pb 0.86697 0.43739 0.73163 1.00000
Pb7 Pb 0.13303 0.56261 0.26837 1.00000
Pb8 Pb 0.27077 0.35023 0.55088 1.00000
Pb9 Pb 0.57042 0.16903 0.56261 1.00000
Pb10 Pb 0.59860 0.73163 0.83097 1.00000
Pb11 Pb 0.92054 0.09889 0.35023 1.00000
Pb12 Pb 0.17835 0.44912 0.90111 1.00000
Au1 Au 0.74155 0.18197 0.11621 1.00000
Au2 Au 0.14225 0.88379 0.29818 1.00000
Au3 Au 0.44043 0.29818 0.81803 1.00000
Au4 Au 0.50000 0.00000 0.00000 1.00000
Au5 Au 0.55957 0.70182 0.18197 1.00000
Au6 Au 0.85775 0.11621 0.70182 1.00000
Au7 Au 0.25845 0.81803 0.88379 1.00000
