Cs3(GeSb2)2
Alexandria ALEXAlex-ID: agm003340468 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_150_spg15
CsSb2 Ge CsSb
2022-02-02 00:08:44.329154
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003340468).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003340468
data_agm003340468
_cell_length_a 7.33081
_cell_length_b 11.56737
_cell_length_c 11.56737
_cell_angle_alpha 64.62201
_cell_angle_beta 85.17345
_cell_angle_gamma 85.17345
_cell_volume 881.83299
_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 0.94344 0.05606 0.31211 1.00000
Cs2 Cs 0.55656 0.68789 0.94394 1.00000
Cs3 Cs 0.05656 0.94394 0.68789 1.00000
Cs4 Cs 0.44344 0.31211 0.05606 1.00000
Cs5 Cs 0.25000 0.66136 0.33864 1.00000
Cs6 Cs 0.75000 0.33864 0.66136 1.00000
Ge1 Ge 0.45298 0.16376 0.41524 1.00000
Ge2 Ge 0.04702 0.58476 0.83624 1.00000
Ge3 Ge 0.54702 0.83624 0.58476 1.00000
Ge4 Ge 0.95298 0.41524 0.16376 1.00000
Sb1 Sb 0.45853 0.97095 0.34232 1.00000
Sb2 Sb 0.04147 0.65768 0.02905 1.00000
Sb3 Sb 0.54147 0.02905 0.65768 1.00000
Sb4 Sb 0.95853 0.34232 0.97095 1.00000
Sb5 Sb 0.13242 0.32158 0.38534 1.00000
Sb6 Sb 0.36758 0.61466 0.67842 1.00000
Sb7 Sb 0.86758 0.67842 0.61466 1.00000
Sb8 Sb 0.63242 0.38534 0.32158 1.00000
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