Mn2TlB2Rh5
Alexandria ALEXAlex-ID: agm005138331 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_6_spg127
B4Rh5 Tl5B4Rh9 MnB MnRh
2022-07-14 13:54:23.219468
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005138331).
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 agm005138331
data_agm005138331
_cell_length_a 2.98040
_cell_length_b 9.63576
_cell_length_c 9.63576
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 276.72409
_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
Mn1 Mn 0.00000 0.67663 0.17663 1.00000
Mn2 Mn 0.00000 0.32337 0.82337 1.00000
Mn3 Mn 0.00000 0.17663 0.32337 1.00000
Mn4 Mn 0.00000 0.82337 0.67663 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.00000 0.50000 0.50000 1.00000
B1 B 0.00000 0.12268 0.62268 1.00000
B2 B 0.00000 0.87732 0.37732 1.00000
B3 B 0.00000 0.62268 0.87732 1.00000
B4 B 0.00000 0.37732 0.12268 1.00000
Rh1 Rh 0.50000 0.22656 0.07169 1.00000
Rh2 Rh 0.50000 0.77344 0.92831 1.00000
Rh3 Rh 0.50000 0.07169 0.77344 1.00000
Rh4 Rh 0.50000 0.72656 0.42831 1.00000
Rh5 Rh 0.50000 0.92831 0.22656 1.00000
Rh6 Rh 0.50000 0.27344 0.57169 1.00000
Rh7 Rh 0.50000 0.57169 0.72656 1.00000
Rh8 Rh 0.50000 0.42831 0.27344 1.00000
Rh9 Rh 0.50000 0.50000 0.00000 1.00000
Rh10 Rh 0.50000 0.00000 0.50000 1.00000
获取直接链接