K6H2Pt
Alexandria ALEXAlex-ID: agm071157166 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_5864_spg212
K2H2Pt K
2024-08-16 17:51:41.733754
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071157166).
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 agm071157166
data_agm071157166
_cell_length_a 12.33312
_cell_length_b 12.33312
_cell_length_c 12.33312
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1875.93900
_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 0.37097 0.39882 0.87083 1.00000
K2 K 0.12903 0.60118 0.37083 1.00000
K3 K 0.62903 0.89882 0.62917 1.00000
K4 K 0.87097 0.10118 0.12917 1.00000
K5 K 0.87083 0.37097 0.39882 1.00000
K6 K 0.37083 0.12903 0.60118 1.00000
K7 K 0.62917 0.62903 0.89882 1.00000
K8 K 0.12917 0.87097 0.10118 1.00000
K9 K 0.39882 0.87083 0.37097 1.00000
K10 K 0.60118 0.37083 0.12903 1.00000
K11 K 0.89882 0.62917 0.62903 1.00000
K12 K 0.10118 0.12917 0.87097 1.00000
K13 K 0.64882 0.12097 0.87917 1.00000
K14 K 0.85118 0.87903 0.37917 1.00000
K15 K 0.14882 0.37903 0.12083 1.00000
K16 K 0.35118 0.62097 0.62083 1.00000
K17 K 0.62097 0.62083 0.35118 1.00000
K18 K 0.37903 0.12083 0.14882 1.00000
K19 K 0.87903 0.37917 0.85118 1.00000
K20 K 0.12097 0.87917 0.64882 1.00000
K21 K 0.12083 0.14882 0.37903 1.00000
K22 K 0.62083 0.35118 0.62097 1.00000
K23 K 0.87917 0.64882 0.12097 1.00000
K24 K 0.37917 0.85118 0.87903 1.00000
H1 H 0.64297 0.64297 0.64297 1.00000
H2 H 0.85703 0.35703 0.14297 1.00000
H3 H 0.35703 0.14297 0.85703 1.00000
H4 H 0.14297 0.85703 0.35703 1.00000
H5 H 0.89297 0.39297 0.10703 1.00000
H6 H 0.60703 0.60703 0.60703 1.00000
H7 H 0.39297 0.10703 0.89297 1.00000
H8 H 0.10703 0.89297 0.39297 1.00000
Pt1 Pt 0.12500 0.12500 0.12500 1.00000
Pt2 Pt 0.37500 0.87500 0.62500 1.00000
Pt3 Pt 0.87500 0.62500 0.37500 1.00000
Pt4 Pt 0.62500 0.37500 0.87500 1.00000
