K10Pt
Alexandria ALEXAlex-ID: agm071484701 · 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
AB10_33_spg212
KPt2 K
2024-09-12 20:22:31.042273
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071484701).
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 agm071484701
data_agm071484701
_cell_length_a 14.20399
_cell_length_b 14.20399
_cell_length_c 14.20399
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2865.70172
_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 0.62500 0.62500 0.62500 1.00000
K2 K 0.87500 0.37500 0.12500 1.00000
K3 K 0.37500 0.12500 0.87500 1.00000
K4 K 0.12500 0.87500 0.37500 1.00000
K5 K 0.62500 0.04014 0.20986 1.00000
K6 K 0.87500 0.95986 0.70986 1.00000
K7 K 0.37500 0.54014 0.29014 1.00000
K8 K 0.12500 0.45986 0.79014 1.00000
K9 K 0.20986 0.62500 0.04014 1.00000
K10 K 0.70986 0.87500 0.95986 1.00000
K11 K 0.29014 0.37500 0.54014 1.00000
K12 K 0.79014 0.12500 0.45986 1.00000
K13 K 0.04014 0.20986 0.62500 1.00000
K14 K 0.95986 0.70986 0.87500 1.00000
K15 K 0.54014 0.29014 0.37500 1.00000
K16 K 0.45986 0.79014 0.12500 1.00000
K17 K 0.04085 0.16132 0.92261 1.00000
K18 K 0.45915 0.83868 0.42261 1.00000
K19 K 0.95915 0.66132 0.57739 1.00000
K20 K 0.54085 0.33868 0.07739 1.00000
K21 K 0.92261 0.04085 0.16132 1.00000
K22 K 0.42261 0.45915 0.83868 1.00000
K23 K 0.57739 0.95915 0.66132 1.00000
K24 K 0.07739 0.54085 0.33868 1.00000
K25 K 0.16132 0.92261 0.04085 1.00000
K26 K 0.83868 0.42261 0.45915 1.00000
K27 K 0.66132 0.57739 0.95915 1.00000
K28 K 0.33868 0.07739 0.54085 1.00000
K29 K 0.41132 0.79085 0.82739 1.00000
K30 K 0.08868 0.20915 0.32739 1.00000
K31 K 0.91132 0.70915 0.17261 1.00000
K32 K 0.58868 0.29085 0.67261 1.00000
K33 K 0.29085 0.67261 0.58868 1.00000
K34 K 0.70915 0.17261 0.91132 1.00000
K35 K 0.20915 0.32739 0.08868 1.00000
K36 K 0.79085 0.82739 0.41132 1.00000
K37 K 0.17261 0.91132 0.70915 1.00000
K38 K 0.67261 0.58868 0.29085 1.00000
K39 K 0.82739 0.41132 0.79085 1.00000
K40 K 0.32739 0.08868 0.20915 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
