Ho4ScCd
Alexandria ALEXAlex-ID: agm003734849 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1402_spg123
Ho2Cd Ho Sc
2022-04-18 23:51:18.264826
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003734849).
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 agm003734849
data_agm003734849
_cell_length_a 5.19759
_cell_length_b 5.19852
_cell_length_c 7.24267
_cell_angle_alpha 89.97468
_cell_angle_beta 89.98367
_cell_angle_gamma 89.99976
_cell_volume 195.69497
_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
Ho1 Ho 0.50131 0.99707 0.25104 1.00000
Ho2 Ho 0.50131 0.99755 0.74527 1.00000
Ho3 Ho 0.00142 0.49728 0.74522 1.00000
Ho4 Ho 0.00116 0.49726 0.25111 1.00000
Sc1 Sc 0.50128 0.49732 0.99805 1.00000
Cd1 Cd 0.00133 0.99725 0.49815 1.00000
获取直接链接