TbH7Ru5
Alexandria ALEXAlex-ID: agm006552155 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C7_280_spg8
H8Ru3 TbH5Ru Ru
2024-02-29 12:19:03.654218
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006552155).
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 agm006552155
data_agm006552155
_cell_length_a 4.88111
_cell_length_b 4.98346
_cell_length_c 5.79747
_cell_angle_alpha 88.66812
_cell_angle_beta 83.25431
_cell_angle_gamma 65.40765
_cell_volume 127.29131
_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 0.75871 0.81608 0.11621 1.00000
H1 H 0.71566 0.38803 0.95493 1.00000
H2 H 0.27296 0.38593 0.79207 1.00000
H3 H 0.31962 0.80525 0.94534 1.00000
H4 H 0.35900 0.32938 0.36159 1.00000
H5 H 0.16503 0.27473 0.08834 1.00000
H6 H 0.23837 0.80464 0.30010 1.00000
H7 H 0.73276 0.47771 0.38496 1.00000
Ru1 Ru 0.10832 0.65797 0.56261 1.00000
Ru2 Ru 0.06886 0.18118 0.37379 1.00000
Ru3 Ru 0.59204 0.62284 0.70559 1.00000
Ru4 Ru 0.59443 0.11038 0.57967 1.00000
Ru5 Ru 0.07424 0.14587 0.83479 1.00000
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