La6Ge7I3
Alexandria ALEXAlex-ID: agm008106952 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B6C7_4_spg59
LaGeI La3Ge5 La2GeI2
2025-01-26 00:32:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008106952).
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 agm008106952
data_agm008106952
_cell_length_a 4.28333
_cell_length_b 12.40784
_cell_length_c 17.40691
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 925.12300
_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 0.00000 0.15180 0.50000 1.00000
La2 La 0.50000 0.84820 0.00000 1.00000
La3 La 0.00000 0.13537 0.75839 1.00000
La4 La 0.50000 0.86463 0.74161 1.00000
La5 La 0.00000 0.13537 0.24161 1.00000
La6 La 0.50000 0.86463 0.25839 1.00000
La7 La 0.00000 0.42639 0.88203 1.00000
La8 La 0.50000 0.57361 0.61797 1.00000
La9 La 0.00000 0.42639 0.11797 1.00000
La10 La 0.50000 0.57361 0.38203 1.00000
La11 La 0.00000 0.13984 0.00000 1.00000
La12 La 0.50000 0.86016 0.50000 1.00000
Ge1 Ge 0.50000 0.34845 0.00000 1.00000
Ge2 Ge 0.00000 0.65155 0.50000 1.00000
Ge3 Ge 0.00000 0.92131 0.87607 1.00000
Ge4 Ge 0.50000 0.07869 0.62393 1.00000
Ge5 Ge 0.00000 0.92131 0.12393 1.00000
Ge6 Ge 0.50000 0.07869 0.37607 1.00000
Ge7 Ge 0.50000 0.24700 0.87012 1.00000
Ge8 Ge 0.00000 0.75300 0.62988 1.00000
Ge9 Ge 0.50000 0.24700 0.12988 1.00000
Ge10 Ge 0.00000 0.75300 0.37012 1.00000
Ge11 Ge 0.50000 0.04054 0.87697 1.00000
Ge12 Ge 0.00000 0.95946 0.62303 1.00000
Ge13 Ge 0.00000 0.95946 0.37697 1.00000
Ge14 Ge 0.50000 0.04054 0.12303 1.00000
I1 I 0.00000 0.38792 0.69111 1.00000
I2 I 0.50000 0.61208 0.80889 1.00000
I3 I 0.50000 0.36051 0.50000 1.00000
I4 I 0.00000 0.63949 0.00000 1.00000
I5 I 0.00000 0.38792 0.30889 1.00000
I6 I 0.50000 0.61208 0.19111 1.00000
