Rb2Mg(ZnS2)2
Alexandria ALEXAlex-ID: agm004563802 · 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
AB2C2D4_134_spg12
Rb2Zn3S4 Rb2Mg3S4
2022-06-19 16:20:55.527488
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004563802).
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 agm004563802
data_agm004563802
_cell_length_a 3.88339
_cell_length_b 7.65309
_cell_length_c 7.92375
_cell_angle_alpha 107.13645
_cell_angle_beta 104.18464
_cell_angle_gamma 90.00000
_cell_volume 217.51405
_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
Rb1 Rb 0.12510 0.53800 0.25021 1.00000
Rb2 Rb 0.87490 0.46200 0.74979 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.67052 0.98229 0.34104 1.00000
Zn2 Zn 0.32948 0.01771 0.65896 1.00000
S1 S 0.20811 0.17151 0.41623 1.00000
S2 S 0.79189 0.82849 0.58377 1.00000
S3 S 0.52257 0.78971 0.04515 1.00000
S4 S 0.47743 0.21029 0.95485 1.00000
获取直接链接