Cs10Mn4Ge4S17
Alexandria ALEXAlex-ID: agm017992297 · 空间群: P-43m (#215)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B4C10D17_0_spg160
Cs2GeS3 Cs2Ge2S5 Cs2Mn3S4
2025-02-26 03:54:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017992297).
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 agm017992297
data_agm017992297
_cell_length_a 10.48807
_cell_length_b 10.48807
_cell_length_c 10.48807
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1153.68215
_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
Cs1 Cs 0.00000 0.50000 0.00000 1.00000
Cs2 Cs 0.00000 0.00000 0.50000 1.00000
Cs3 Cs 0.50000 0.00000 0.00000 1.00000
Cs4 Cs 0.00000 0.50000 0.50000 1.00000
Cs5 Cs 0.50000 0.00000 0.50000 1.00000
Cs6 Cs 0.50000 0.50000 0.00000 1.00000
Cs7 Cs 0.32962 0.67038 0.32962 1.00000
Cs8 Cs 0.32962 0.32962 0.67038 1.00000
Cs9 Cs 0.67038 0.32962 0.32962 1.00000
Cs10 Cs 0.67038 0.67038 0.67038 1.00000
Mn1 Mn 0.86986 0.86986 0.86986 1.00000
Mn2 Mn 0.13014 0.86986 0.13014 1.00000
Mn3 Mn 0.86986 0.13014 0.13014 1.00000
Mn4 Mn 0.13014 0.13014 0.86986 1.00000
Ge1 Ge 0.21529 0.78471 0.78471 1.00000
Ge2 Ge 0.78471 0.21529 0.78471 1.00000
Ge3 Ge 0.78471 0.78471 0.21529 1.00000
Ge4 Ge 0.21529 0.21529 0.21529 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
S2 S 0.33721 0.66279 0.66279 1.00000
S3 S 0.66279 0.33721 0.66279 1.00000
S4 S 0.66279 0.66279 0.33721 1.00000
S5 S 0.33721 0.33721 0.33721 1.00000
S6 S 0.00810 0.73994 0.73994 1.00000
S7 S 0.73994 0.00810 0.73994 1.00000
S8 S 0.73994 0.73994 0.00810 1.00000
S9 S 0.99190 0.73994 0.26006 1.00000
S10 S 0.26006 0.00810 0.26006 1.00000
S11 S 0.26006 0.73994 0.99190 1.00000
S12 S 0.00810 0.26006 0.26006 1.00000
S13 S 0.73994 0.99190 0.26006 1.00000
S14 S 0.73994 0.26006 0.99190 1.00000
S15 S 0.99190 0.26006 0.73994 1.00000
S16 S 0.26006 0.99190 0.73994 1.00000
S17 S 0.26006 0.26006 0.00810 1.00000
