ErH6C
Alexandria ALEXAlex-ID: agm076137701 · 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_253_spg12
ErH3 H4C C
2025-06-26 14:37:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076137701).
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 agm076137701
data_agm076137701
_cell_length_a 3.75080
_cell_length_b 3.90084
_cell_length_c 5.29835
_cell_angle_alpha 87.31722
_cell_angle_beta 89.40201
_cell_angle_gamma 61.03641
_cell_volume 67.74488
_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 0.91207 0.82940 0.05779 1.00000
H1 H 0.92948 0.12145 0.57752 1.00000
H2 H 0.47011 0.71147 0.25467 1.00000
H3 H 0.60327 0.89772 0.60680 1.00000
H4 H 0.22617 0.20047 0.99419 1.00000
H5 H 0.56238 0.52876 0.12419 1.00000
H6 H 0.15548 0.59242 0.60368 1.00000
C1 C 0.89104 0.86831 0.53117 1.00000
获取直接链接