K3Ge5Pt6
Alexandria ALEXAlex-ID: agm005698351 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_15_spg59
K(GePt)2 KPt2
2023-06-30 13:39:48.359931
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698351).
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 agm005698351
data_agm005698351
_cell_length_a 4.23139
_cell_length_b 12.46102
_cell_length_c 13.14403
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 693.05037
_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 0.00000 0.26837 0.66869 1.00000
K2 K 0.50000 0.73163 0.16869 1.00000
K3 K 0.50000 0.73163 0.83131 1.00000
K4 K 0.00000 0.23701 0.00000 1.00000
K5 K 0.50000 0.76299 0.50000 1.00000
K6 K 0.00000 0.26837 0.33131 1.00000
Ge1 Ge 0.00000 0.47743 0.88515 1.00000
Ge2 Ge 0.00000 0.89836 0.66568 1.00000
Ge3 Ge 0.00000 0.88531 0.00000 1.00000
Ge4 Ge 0.50000 0.52257 0.61485 1.00000
Ge5 Ge 0.50000 0.11469 0.50000 1.00000
Ge6 Ge 0.00000 0.47743 0.11485 1.00000
Ge7 Ge 0.50000 0.52257 0.38515 1.00000
Ge8 Ge 0.00000 0.89836 0.33432 1.00000
Ge9 Ge 0.50000 0.10164 0.83432 1.00000
Ge10 Ge 0.50000 0.10164 0.16568 1.00000
Pt1 Pt 0.00000 0.99253 0.83539 1.00000
Pt2 Pt 0.50000 0.00747 0.66461 1.00000
Pt3 Pt 0.50000 0.44908 0.79474 1.00000
Pt4 Pt 0.50000 0.47198 0.00000 1.00000
Pt5 Pt 0.00000 0.52802 0.50000 1.00000
Pt6 Pt 0.00000 0.55092 0.70526 1.00000
Pt7 Pt 0.00000 0.55092 0.29474 1.00000
Pt8 Pt 0.50000 0.99472 0.00000 1.00000
Pt9 Pt 0.00000 0.99253 0.16461 1.00000
Pt10 Pt 0.50000 0.44908 0.20526 1.00000
Pt11 Pt 0.00000 0.00528 0.50000 1.00000
Pt12 Pt 0.50000 0.00747 0.33539 1.00000
