CrGeRu
Alexandria ALEXAlex-ID: agm002145392 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_62_spg189
Cr3Ge CrGeRu2 Ge3Ru2
2018-06-05 00:30:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002145392).
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 agm002145392
data_agm002145392
_cell_length_a 2.87094
_cell_length_b 7.06588
_cell_length_c 7.06588
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 124.13282
_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
Ru1 Ru 0.50000 0.00000 0.29193 1.00000
Ru2 Ru 0.50000 0.29193 0.00000 1.00000
Ru3 Ru 0.50000 0.70807 0.70807 1.00000
Ge1 Ge 0.50000 0.33333 0.66667 1.00000
Ge2 Ge 0.00000 0.00000 0.00000 1.00000
Ge3 Ge 0.50000 0.66667 0.33333 1.00000
Cr1 Cr 0.00000 0.62373 0.00000 1.00000
Cr2 Cr 0.00000 0.37627 0.37627 1.00000
Cr3 Cr 0.00000 0.00000 0.62373 1.00000
