Ba2GeRu2
Alexandria ALEXAlex-ID: agm002279232 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_438_spg15
Ba2Ge Ru
2019-01-08 05:57:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002279232).
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 agm002279232
data_agm002279232
_cell_length_a 5.91272
_cell_length_b 5.91261
_cell_length_c 7.99931
_cell_angle_alpha 82.33284
_cell_angle_beta 82.33864
_cell_angle_gamma 68.14454
_cell_volume 256.16679
_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 0.78485 0.48538 0.99274 1.00000
Ru2 Ru 0.51469 0.21514 0.50727 1.00000
Ru3 Ru 0.21515 0.51464 0.00726 1.00000
Ru4 Ru 0.48532 0.78484 0.49273 1.00000
Ge1 Ge 0.55404 0.44591 0.75003 1.00000
Ge2 Ge 0.44594 0.55409 0.24998 1.00000
Ba1 Ba 0.72648 0.97090 0.14372 1.00000
Ba2 Ba 0.02915 0.27355 0.35630 1.00000
Ba3 Ba 0.27351 0.02911 0.85628 1.00000
Ba4 Ba 0.97087 0.72644 0.64369 1.00000
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