SmCo3H8
Alexandria ALEXAlex-ID: agm007458362 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_285_spg44
SmCoH6 CoH
2024-03-16 02:19:19.704579
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007458362).
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 agm007458362
data_agm007458362
_cell_length_a 4.38077
_cell_length_b 4.38077
_cell_length_c 5.89055
_cell_angle_alpha 64.58928
_cell_angle_beta 64.58928
_cell_angle_gamma 61.33274
_cell_volume 85.96480
_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
Sm1 Sm 0.52049 0.47951 0.00000 1.00000
Co1 Co 0.02993 0.97007 0.50000 1.00000
Co2 Co 0.34362 0.27304 0.63056 1.00000
Co3 Co 0.72696 0.65638 0.36944 1.00000
H1 H 0.92726 0.87553 0.12238 1.00000
H2 H 0.64504 0.90327 0.54571 1.00000
H3 H 0.12447 0.07274 0.87762 1.00000
H4 H 0.09673 0.35496 0.45429 1.00000
H5 H 0.12054 0.60464 0.75348 1.00000
H6 H 0.90017 0.33134 0.24614 1.00000
H7 H 0.66866 0.09983 0.75386 1.00000
H8 H 0.39536 0.87946 0.24652 1.00000
获取直接链接