KSb3Pt
Alexandria ALEXAlex-ID: agm003718924 · 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
ABC3_1642_spg15
KSb Sb2Pt
2022-04-16 02:37:25.459052
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003718924).
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 agm003718924
data_agm003718924
_cell_length_a 8.00603
_cell_length_b 9.23403
_cell_length_c 9.23403
_cell_angle_alpha 87.61752
_cell_angle_beta 70.91619
_cell_angle_gamma 70.91619
_cell_volume 608.04565
_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 0.07838 0.92162 1.00000
K2 K 0.75000 0.92162 0.07838 1.00000
K3 K 0.25000 0.46026 0.53974 1.00000
K4 K 0.75000 0.53974 0.46026 1.00000
Sb1 Sb 0.46417 0.62358 0.16946 1.00000
Sb2 Sb 0.03583 0.83054 0.37642 1.00000
Sb3 Sb 0.53583 0.37642 0.83054 1.00000
Sb4 Sb 0.96417 0.16946 0.62358 1.00000
Sb5 Sb 0.91698 0.43590 0.90572 1.00000
Sb6 Sb 0.58302 0.09428 0.56410 1.00000
Sb7 Sb 0.08302 0.56410 0.09428 1.00000
Sb8 Sb 0.41698 0.90572 0.43590 1.00000
Sb9 Sb 0.28164 0.70300 0.82961 1.00000
Sb10 Sb 0.21836 0.17039 0.29700 1.00000
Sb11 Sb 0.71836 0.29700 0.17039 1.00000
Sb12 Sb 0.78164 0.82961 0.70300 1.00000
Pt1 Pt 0.61849 0.64261 0.86788 1.00000
Pt2 Pt 0.88151 0.13212 0.35739 1.00000
Pt3 Pt 0.38151 0.35739 0.13212 1.00000
Pt4 Pt 0.11849 0.86788 0.64261 1.00000
