TbH2Rh
Alexandria ALEXAlex-ID: agm007399485 · 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
ABC2_1134_spg33
TbH2 TbRh2 TbH3Rh
2024-03-05 09:05:08.246933
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007399485).
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
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# CIF generated by HEAS from Alexandria entry agm007399485
data_agm007399485
_cell_length_a 4.51394
_cell_length_b 5.91530
_cell_length_c 7.32113
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 195.48400
_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 0.75000 0.35259 0.31331 1.00000
Tb2 Tb 0.25000 0.85259 0.18669 1.00000
Tb3 Tb 0.25000 0.64741 0.68669 1.00000
Tb4 Tb 0.75000 0.14741 0.81331 1.00000
H1 H 0.98573 0.33870 0.58918 1.00000
H2 H 0.01427 0.83870 0.91082 1.00000
H3 H 0.01427 0.66130 0.41082 1.00000
H4 H 0.98573 0.16130 0.08918 1.00000
H5 H 0.48573 0.66130 0.41082 1.00000
H6 H 0.48573 0.83870 0.91082 1.00000
H7 H 0.51427 0.33870 0.58918 1.00000
H8 H 0.51427 0.16130 0.08918 1.00000
Rh1 Rh 0.25000 0.14499 0.53963 1.00000
Rh2 Rh 0.75000 0.85501 0.46037 1.00000
Rh3 Rh 0.75000 0.64499 0.96037 1.00000
Rh4 Rh 0.25000 0.35501 0.03963 1.00000
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