Er4H8O
Alexandria ALEXAlex-ID: agm097624873 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1523_spg1
ErHO ErH3 ErH2
2025-06-16 01:46:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097624873).
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 agm097624873
data_agm097624873
_cell_length_a 3.62226
_cell_length_b 6.37805
_cell_length_c 7.33068
_cell_angle_alpha 125.39352
_cell_angle_beta 90.00295
_cell_angle_gamma 89.99745
_cell_volume 138.06154
_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 0.00010 0.93646 0.98567 1.00000
Er2 Er 0.99998 0.92824 0.46969 1.00000
Er3 Er 0.49997 0.42849 0.97853 1.00000
Er4 Er 0.50005 0.41725 0.47693 1.00000
H1 H 0.00002 0.18034 0.36213 1.00000
H2 H 0.00001 0.16674 0.83723 1.00000
H3 H 0.99993 0.65201 0.10010 1.00000
H4 H 0.50011 0.67319 0.84419 1.00000
H5 H 0.00003 0.67093 0.59511 1.00000
H6 H 0.49997 0.17902 0.61701 1.00000
H7 H 0.49979 0.89313 0.24470 1.00000
H8 H 0.49996 0.68731 0.38492 1.00000
O1 O 0.50008 0.18691 0.10379 1.00000
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