ErH6Rh
Alexandria ALEXAlex-ID: agm070927751 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1361_spg212
ErH6Rh
2024-08-06 21:47:54.776125
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070927751).
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 agm070927751
data_agm070927751
_cell_length_a 8.05504
_cell_length_b 8.05504
_cell_length_c 8.05504
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 522.64098
_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 0.62500 0.62500 0.62500 1.00000
Er2 Er 0.87500 0.37500 0.12500 1.00000
Er3 Er 0.37500 0.12500 0.87500 1.00000
Er4 Er 0.12500 0.87500 0.37500 1.00000
H1 H 0.56808 0.25244 0.71904 1.00000
H2 H 0.93192 0.74756 0.21904 1.00000
H3 H 0.43192 0.75244 0.78096 1.00000
H4 H 0.06808 0.24756 0.28096 1.00000
H5 H 0.71904 0.56808 0.25244 1.00000
H6 H 0.21904 0.93192 0.74756 1.00000
H7 H 0.78096 0.43192 0.75244 1.00000
H8 H 0.28096 0.06808 0.24756 1.00000
H9 H 0.25244 0.71904 0.56808 1.00000
H10 H 0.74756 0.21904 0.93192 1.00000
H11 H 0.75244 0.78096 0.43192 1.00000
H12 H 0.24756 0.28096 0.06808 1.00000
H13 H 0.50244 0.31808 0.03096 1.00000
H14 H 0.99756 0.68192 0.53096 1.00000
H15 H 0.00244 0.18192 0.96904 1.00000
H16 H 0.49756 0.81808 0.46904 1.00000
H17 H 0.81808 0.46904 0.49756 1.00000
H18 H 0.18192 0.96904 0.00244 1.00000
H19 H 0.68192 0.53096 0.99756 1.00000
H20 H 0.31808 0.03096 0.50244 1.00000
H21 H 0.96904 0.00244 0.18192 1.00000
H22 H 0.46904 0.49756 0.81808 1.00000
H23 H 0.03096 0.50244 0.31808 1.00000
H24 H 0.53096 0.99756 0.68192 1.00000
Rh1 Rh 0.12500 0.12500 0.12500 1.00000
Rh2 Rh 0.37500 0.87500 0.62500 1.00000
Rh3 Rh 0.87500 0.62500 0.37500 1.00000
Rh4 Rh 0.62500 0.37500 0.87500 1.00000
