Ba5Al2Ge5
Alexandria ALEXAlex-ID: agm003373322 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_19_spg12
BaAlGe BaGe
2022-02-08 15:34:55.552291
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003373322).
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 agm003373322
data_agm003373322
_cell_length_a 4.22937
_cell_length_b 8.89995
_cell_length_c 14.70770
_cell_angle_alpha 132.38223
_cell_angle_beta 90.00000
_cell_angle_gamma 103.74531
_cell_volume 387.20132
_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
Ba1 Ba 0.50000 0.00000 0.50000 1.00000
Ba2 Ba 0.60120 0.20240 0.91848 1.00000
Ba3 Ba 0.69260 0.38520 0.31471 1.00000
Ba4 Ba 0.30740 0.61480 0.68529 1.00000
Ba5 Ba 0.39880 0.79760 0.08152 1.00000
Al1 Al 0.14182 0.28364 0.75949 1.00000
Al2 Al 0.85818 0.71636 0.24051 1.00000
Ge1 Ge 0.05755 0.11510 0.36396 1.00000
Ge2 Ge 0.75248 0.50496 0.82619 1.00000
Ge3 Ge 0.24752 0.49504 0.17381 1.00000
Ge4 Ge 0.94245 0.88490 0.63604 1.00000
Ge5 Ge 0.00000 0.00000 0.00000 1.00000
获取直接链接