SbP2AuF12
Alexandria ALEXAlex-ID: agm005227407 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D12_19_spg64
PF3 SbF3 PF5 Au
2024-10-04 10:26:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227407).
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 agm005227407
data_agm005227407
_cell_length_a 8.45770
_cell_length_b 9.13232
_cell_length_c 8.41863
_cell_angle_alpha 90.00000
_cell_angle_beta 119.45083
_cell_angle_gamma 90.00000
_cell_volume 566.21610
_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
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Sb2 Sb 0.00000 0.00000 0.00000 1.00000
P1 P 0.69097 0.03001 0.34632 1.00000
P2 P 0.30903 0.53001 0.15368 1.00000
P3 P 0.30903 0.96999 0.65368 1.00000
P4 P 0.69097 0.46999 0.84632 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
Au2 Au 0.00000 0.50000 0.00000 1.00000
F1 F 0.15748 0.42206 0.73908 1.00000
F2 F 0.84252 0.92206 0.76092 1.00000
F3 F 0.84252 0.57794 0.26092 1.00000
F4 F 0.15748 0.07794 0.23908 1.00000
F5 F 0.15507 0.41840 0.41564 1.00000
F6 F 0.84493 0.91840 0.08436 1.00000
F7 F 0.84493 0.58160 0.58436 1.00000
F8 F 0.15507 0.08160 0.91564 1.00000
F9 F 0.13997 0.67808 0.56596 1.00000
F10 F 0.86003 0.17808 0.93404 1.00000
F11 F 0.86003 0.32192 0.43404 1.00000
F12 F 0.13997 0.82192 0.06596 1.00000
F13 F 0.60387 0.11211 0.44568 1.00000
F14 F 0.39613 0.61211 0.05432 1.00000
F15 F 0.39613 0.88789 0.55432 1.00000
F16 F 0.60387 0.38789 0.94568 1.00000
F17 F 0.60487 0.11208 0.16089 1.00000
F18 F 0.39513 0.61208 0.33911 1.00000
F19 F 0.39513 0.88792 0.83911 1.00000
F20 F 0.60487 0.38792 0.66089 1.00000
F21 F 0.58009 0.88490 0.29125 1.00000
F22 F 0.41991 0.38490 0.20875 1.00000
F23 F 0.41991 0.11510 0.70875 1.00000
F24 F 0.58009 0.61510 0.79125 1.00000
