La6ZnGe2
Alexandria ALEXAlex-ID: agm005694367 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1783_spg71
La4Zn La4Zn3 La4Ge3
2023-07-10 18:19:45.583034
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694367).
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 agm005694367
data_agm005694367
_cell_length_a 8.97775
_cell_length_b 8.97775
_cell_length_c 8.97775
_cell_angle_alpha 107.69504
_cell_angle_beta 109.31169
_cell_angle_gamma 111.42866
_cell_volume 556.43679
_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
La1 La 0.43691 0.26597 0.17094 1.00000
La2 La 0.56309 0.73403 0.82906 1.00000
La3 La 0.90497 0.73403 0.17094 1.00000
La4 La 0.09503 0.26597 0.82906 1.00000
La5 La 0.19518 0.74213 0.93731 1.00000
La6 La 0.80482 0.25787 0.06269 1.00000
La7 La 0.80482 0.74213 0.54695 1.00000
La8 La 0.19518 0.25787 0.45305 1.00000
La9 La 0.29491 0.96223 0.66733 1.00000
La10 La 0.70509 0.03777 0.33267 1.00000
La11 La 0.70509 0.37242 0.66733 1.00000
La12 La 0.29491 0.62758 0.33267 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.37995 0.87995 1.00000
Ge2 Ge 0.50000 0.62005 0.12005 1.00000
Ge3 Ge 0.34240 1.00000 0.34240 1.00000
Ge4 Ge 0.65760 0.00000 0.65760 1.00000
获取直接链接