LaCdGe2
Alexandria ALEXAlex-ID: agm005693042 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_549_spg62
La4Ge7 Ge Cd
2023-07-12 08:08:08.117643
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693042).
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 agm005693042
data_agm005693042
_cell_length_a 4.41032
_cell_length_b 11.89134
_cell_length_c 14.49742
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 760.31213
_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 0.75000 0.44457 0.70181 1.00000
La2 La 0.25000 0.94457 0.79819 1.00000
La3 La 0.25000 0.55543 0.29819 1.00000
La4 La 0.75000 0.05543 0.20181 1.00000
La5 La 0.75000 0.23615 0.95370 1.00000
La6 La 0.25000 0.73615 0.54630 1.00000
La7 La 0.25000 0.76385 0.04630 1.00000
La8 La 0.75000 0.26385 0.45370 1.00000
Cd1 Cd 0.75000 0.54794 0.93949 1.00000
Cd2 Cd 0.25000 0.04794 0.56051 1.00000
Cd3 Cd 0.25000 0.45206 0.06051 1.00000
Cd4 Cd 0.75000 0.95206 0.43949 1.00000
Cd5 Cd 0.75000 0.35145 0.20325 1.00000
Cd6 Cd 0.25000 0.85145 0.29675 1.00000
Cd7 Cd 0.25000 0.64855 0.79675 1.00000
Cd8 Cd 0.75000 0.14855 0.70325 1.00000
Ge1 Ge 0.75000 0.96634 0.96368 1.00000
Ge2 Ge 0.25000 0.46634 0.53632 1.00000
Ge3 Ge 0.25000 0.03366 0.03632 1.00000
Ge4 Ge 0.75000 0.53366 0.46368 1.00000
Ge5 Ge 0.75000 0.77402 0.88481 1.00000
Ge6 Ge 0.25000 0.27402 0.61519 1.00000
Ge7 Ge 0.25000 0.22598 0.11519 1.00000
Ge8 Ge 0.75000 0.72598 0.38481 1.00000
Ge9 Ge 0.75000 0.72340 0.69810 1.00000
Ge10 Ge 0.25000 0.22340 0.80190 1.00000
Ge11 Ge 0.25000 0.27660 0.30190 1.00000
Ge12 Ge 0.75000 0.77660 0.19810 1.00000
Ge13 Ge 0.75000 0.92649 0.63508 1.00000
Ge14 Ge 0.25000 0.42649 0.86492 1.00000
Ge15 Ge 0.25000 0.07351 0.36492 1.00000
Ge16 Ge 0.75000 0.57351 0.13508 1.00000
