KGaS2
Alexandria ALEXAlex-ID: agm002181775 · 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
ABC2_144_spg15
KGaS2
2018-06-01 03:22:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002181775).
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 agm002181775
data_agm002181775
_cell_length_a 6.06719
_cell_length_b 6.71532
_cell_length_c 6.71532
_cell_angle_alpha 103.64318
_cell_angle_beta 108.90313
_cell_angle_gamma 108.90313
_cell_volume 226.43648
_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 0.25000 0.36727 0.63273 1.00000
K2 K 0.75000 0.63273 0.36727 1.00000
S1 S 0.35980 0.92941 0.70676 1.00000
S2 S 0.14020 0.29324 0.07059 1.00000
S3 S 0.85980 0.70676 0.92941 1.00000
S4 S 0.64020 0.07059 0.29324 1.00000
Ga1 Ga 0.75000 0.00768 0.99232 1.00000
Ga2 Ga 0.25000 0.99232 0.00768 1.00000
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