ErH6Ru5
Alexandria ALEXAlex-ID: agm006578433 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_30_spg12
H8Ru3 ErH5Ru Ru
2024-02-28 19:56:27.963405
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006578433).
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 agm006578433
data_agm006578433
_cell_length_a 5.17193
_cell_length_b 5.19210
_cell_length_c 5.15662
_cell_angle_alpha 120.14702
_cell_angle_beta 79.43393
_cell_angle_gamma 111.58243
_cell_volume 111.34661
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.86001 0.33307 0.39462 1.00000
H2 H 0.14098 0.06532 0.39750 1.00000
H3 H 0.40152 0.79909 0.00197 1.00000
H4 H 0.59848 0.20091 0.99803 1.00000
H5 H 0.85902 0.93468 0.60250 1.00000
H6 H 0.13999 0.66693 0.60538 1.00000
Ru1 Ru 0.50042 0.18446 0.36813 1.00000
Ru2 Ru 0.99765 0.35007 0.70244 1.00000
Ru3 Ru 0.50000 0.50000 0.00000 1.00000
Ru4 Ru 0.00235 0.64993 0.29756 1.00000
Ru5 Ru 0.49958 0.81554 0.63187 1.00000
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