K3Mg2Pt7
Alexandria ALEXAlex-ID: agm024854893 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_153_spg166
MgPt K KPt2
2025-05-17 00:08:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024854893).
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 agm024854893
data_agm024854893
_cell_length_a 9.28365
_cell_length_b 9.28365
_cell_length_c 9.28365
_cell_angle_alpha 35.33348
_cell_angle_beta 35.33348
_cell_angle_gamma 35.33348
_cell_volume 239.08703
_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 0.00000 0.00000 1.00000
K2 K 0.14108 0.14108 0.14108 1.00000
K3 K 0.85892 0.85892 0.85892 1.00000
Mg1 Mg 0.33533 0.33533 0.33533 1.00000
Mg2 Mg 0.66467 0.66467 0.66467 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
Pt2 Pt 0.07681 0.58445 0.58445 1.00000
Pt3 Pt 0.58445 0.58445 0.07681 1.00000
Pt4 Pt 0.58445 0.07681 0.58445 1.00000
Pt5 Pt 0.92319 0.41555 0.41555 1.00000
Pt6 Pt 0.41555 0.92319 0.41555 1.00000
Pt7 Pt 0.41555 0.41555 0.92319 1.00000
获取直接链接