Tb8HRu4
Alexandria ALEXAlex-ID: agm006526041 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_11_spg216
Tb2Ru TbH2 Tb5Ru3
2024-03-02 03:55:31.259854
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006526041).
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 agm006526041
data_agm006526041
_cell_length_a 7.00161
_cell_length_b 7.00161
_cell_length_c 7.36733
_cell_angle_alpha 75.10021
_cell_angle_beta 75.10021
_cell_angle_gamma 68.27359
_cell_volume 318.90898
_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 0.60274 0.10818 0.19698 1.00000
Tb2 Tb 0.10818 0.60274 0.19698 1.00000
Tb3 Tb 0.16137 0.16137 0.55959 1.00000
Tb4 Tb 0.15243 0.15243 0.03194 1.00000
Tb5 Tb 0.10476 0.65443 0.68822 1.00000
Tb6 Tb 0.65443 0.10476 0.68822 1.00000
Tb7 Tb 0.61779 0.61779 0.06568 1.00000
Tb8 Tb 0.62625 0.62625 0.55673 1.00000
H1 H 0.74725 0.74725 0.75245 1.00000
Ru1 Ru 0.86490 0.29204 0.33554 1.00000
Ru2 Ru 0.29204 0.86490 0.33554 1.00000
Ru3 Ru 0.41172 0.41172 0.90408 1.00000
Ru4 Ru 0.40906 0.40906 0.43865 1.00000
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