K4VS8
Alexandria ALEXAlex-ID: agm097433115 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1383_spg6
K3VS4 VS4 KS3
2025-06-22 16:11:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097433115).
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
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# CIF generated by HEAS from Alexandria entry agm097433115
data_agm097433115
_cell_length_a 4.68777
_cell_length_b 11.20151
_cell_length_c 10.78065
_cell_angle_alpha 130.58083
_cell_angle_beta 89.75539
_cell_angle_gamma 90.08356
_cell_volume 429.93677
_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 0.99883 0.92748 0.81669 1.00000
K2 K 0.00122 0.92580 0.43502 1.00000
K3 K 0.00045 0.55561 0.87041 1.00000
K4 K 0.00011 0.50723 0.33124 1.00000
V1 V 0.49887 0.04324 0.18619 1.00000
S1 S 0.50228 0.12641 0.44781 1.00000
S2 S 0.49684 0.16801 0.07849 1.00000
S3 S 0.50149 0.68500 0.29689 1.00000
S4 S 0.49889 0.79740 0.91550 1.00000
S5 S 0.49892 0.30880 0.34272 1.00000
S6 S 0.50239 0.36803 0.61944 1.00000
S7 S 0.49931 0.79456 0.11357 1.00000
S8 S 0.50040 0.79245 0.54604 1.00000
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