Tb3BeRh2
Alexandria ALEXAlex-ID: agm005752003 · 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
AB2C3_315_spg62
Tb2BeRh2 TbBe13 Tb5Rh3
2023-08-07 06:30:33.961442
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752003).
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 agm005752003
data_agm005752003
_cell_length_a 3.91908
_cell_length_b 11.65380
_cell_length_c 11.24632
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 513.64465
_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
Tb1 Tb 0.25000 0.37919 0.06283 1.00000
Tb2 Tb 0.75000 0.62081 0.93717 1.00000
Tb3 Tb 0.75000 0.87919 0.43717 1.00000
Tb4 Tb 0.25000 0.12081 0.56283 1.00000
Tb5 Tb 0.25000 0.69718 0.20203 1.00000
Tb6 Tb 0.75000 0.30282 0.79797 1.00000
Tb7 Tb 0.75000 0.19718 0.29797 1.00000
Tb8 Tb 0.25000 0.80282 0.70203 1.00000
Tb9 Tb 0.25000 0.44424 0.37597 1.00000
Tb10 Tb 0.75000 0.55576 0.62403 1.00000
Tb11 Tb 0.75000 0.94424 0.12403 1.00000
Tb12 Tb 0.25000 0.05576 0.87597 1.00000
Be1 Be 0.25000 0.13188 0.12498 1.00000
Be2 Be 0.75000 0.86812 0.87502 1.00000
Be3 Be 0.75000 0.63188 0.37502 1.00000
Be4 Be 0.25000 0.36812 0.62498 1.00000
Rh1 Rh 0.25000 0.68211 0.46865 1.00000
Rh2 Rh 0.75000 0.31789 0.53135 1.00000
Rh3 Rh 0.75000 0.18211 0.03135 1.00000
Rh4 Rh 0.25000 0.81789 0.96865 1.00000
Rh5 Rh 0.25000 0.02247 0.30617 1.00000
Rh6 Rh 0.75000 0.97753 0.69383 1.00000
Rh7 Rh 0.75000 0.52247 0.19383 1.00000
Rh8 Rh 0.25000 0.47753 0.80617 1.00000
