K2PtS15
Alexandria ALEXAlex-ID: agm003243777 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C15_7_spg9
K2PtS15
2021-12-31 01:57:21.095523
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243777).
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 agm003243777
data_agm003243777
_cell_length_a 9.09469
_cell_length_b 9.09469
_cell_length_c 13.65535
_cell_angle_alpha 85.59954
_cell_angle_beta 85.59954
_cell_angle_gamma 75.55022
_cell_volume 1088.58451
_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 0.82076 0.63737 0.16223 1.00000
K2 K 0.63737 0.82076 0.66223 1.00000
K3 K 0.03332 0.19738 0.43181 1.00000
K4 K 0.19738 0.03332 0.93181 1.00000
Pt1 Pt 0.19299 0.78543 0.25611 1.00000
Pt2 Pt 0.78543 0.19299 0.75611 1.00000
S1 S 0.51619 0.46199 0.20121 1.00000
S2 S 0.46199 0.51619 0.70121 1.00000
S3 S 0.46929 0.46079 0.05271 1.00000
S4 S 0.46079 0.46929 0.55271 1.00000
S5 S 0.41145 0.12147 0.35225 1.00000
S6 S 0.12147 0.41145 0.85225 1.00000
S7 S 0.43189 0.90244 0.42029 1.00000
S8 S 0.90244 0.43189 0.92029 1.00000
S9 S 0.22586 0.85179 0.42091 1.00000
S10 S 0.85179 0.22586 0.92091 1.00000
S11 S 0.46515 0.68264 0.23538 1.00000
S12 S 0.68264 0.46515 0.73538 1.00000
S13 S 0.23533 0.50669 0.06823 1.00000
S14 S 0.50669 0.23533 0.56823 1.00000
S15 S 0.15475 0.73333 0.08857 1.00000
S16 S 0.73333 0.15475 0.58857 1.00000
S17 S 0.20131 0.04104 0.19084 1.00000
S18 S 0.04104 0.20131 0.69084 1.00000
S19 S 0.41029 0.07678 0.20584 1.00000
S20 S 0.07678 0.41029 0.70584 1.00000
S21 S 0.14650 0.54081 0.31590 1.00000
S22 S 0.54081 0.14650 0.81590 1.00000
S23 S 0.83259 0.89578 0.40279 1.00000
S24 S 0.89578 0.83259 0.90279 1.00000
S25 S 0.04729 0.56256 0.45432 1.00000
S26 S 0.56256 0.04729 0.95432 1.00000
S27 S 0.92038 0.90456 0.26189 1.00000
S28 S 0.90456 0.92038 0.76189 1.00000
S29 S 0.81653 0.67308 0.43770 1.00000
S30 S 0.67308 0.81653 0.93770 1.00000
