ErH6Ru
Alexandria ALEXAlex-ID: agm123493045 · 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
ABC6_5_spg149
ErH5Ru H2
2025-06-26 11:58:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm123493045).
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 agm123493045
data_agm123493045
_cell_length_a 3.81060
_cell_length_b 4.36038
_cell_length_c 4.51811
_cell_angle_alpha 94.33550
_cell_angle_beta 87.48337
_cell_angle_gamma 120.30568
_cell_volume 64.62553
_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
Er1 Er 0.98884 0.99982 0.50180 1.00000
H1 H 0.01660 0.28163 0.98811 1.00000
H2 H 0.45043 0.48478 0.28395 1.00000
H3 H 0.50982 0.46615 0.71810 1.00000
H4 H 0.51626 0.03687 0.25721 1.00000
H5 H 0.46464 0.97608 0.73732 1.00000
H6 H 0.97123 0.72446 0.01342 1.00000
Ru1 Ru 0.41551 0.69687 0.00009 1.00000
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