CoSbS
Alexandria ALEXAlex-ID: agm005653977 · 空间群: Aem2 (#39)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_1467_spg67
CoSbS
2023-06-19 13:04:39.188397
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653977).
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 agm005653977
data_agm005653977
_cell_length_a 5.34880
_cell_length_b 4.70752
_cell_length_c 4.68952
_cell_angle_alpha 94.66674
_cell_angle_beta 90.00500
_cell_angle_gamma 90.00409
_cell_volume 117.68884
_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
Co1 Co 0.63280 0.37360 0.85551 1.00000
Co2 Co 0.15874 0.87358 0.35550 1.00000
Sb1 Sb 0.89666 0.82769 0.81181 1.00000
Sb2 Sb 0.89501 0.32769 0.31180 1.00000
S1 S 0.31221 0.56183 0.04482 1.00000
S2 S 0.47939 0.06187 0.54477 1.00000
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