K4Ho3SbS8
Alexandria ALEXAlex-ID: agm004728906 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_70_spg166
KHoS2 KSbS2
2023-02-05 14:12:01.564471
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004728906).
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 agm004728906
data_agm004728906
_cell_length_a 8.10246
_cell_length_b 8.71400
_cell_length_c 8.10294
_cell_angle_alpha 117.72303
_cell_angle_beta 119.99806
_cell_angle_gamma 90.00000
_cell_volume 417.92011
_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
K1 K 0.50000 0.00000 0.00000 1.00000
K2 K 0.50000 0.00000 0.50000 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
K4 K 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.50000 0.50000 0.50000 1.00000
Ho3 Ho 0.00000 0.50000 0.50000 1.00000
Sb1 Sb 0.00000 0.50000 0.00000 1.00000
S1 S 0.23527 0.70121 0.96605 1.00000
S2 S 0.23528 0.70121 0.47055 1.00000
S3 S 0.26634 0.29916 0.53269 1.00000
S4 S 0.73078 0.70121 0.96605 1.00000
S5 S 0.26922 0.29879 0.03395 1.00000
S6 S 0.73366 0.70084 0.46731 1.00000
S7 S 0.76472 0.29879 0.52945 1.00000
S8 S 0.76473 0.29879 0.03395 1.00000
获取直接链接