Mg3PdPt2
Alexandria ALEXAlex-ID: agm017010736 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2128_spg14
Mg3PdPt2
2025-04-15 06:54:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017010736).
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 agm017010736
data_agm017010736
_cell_length_a 5.51435
_cell_length_b 8.58718
_cell_length_c 8.15012
_cell_angle_alpha 90.00000
_cell_angle_beta 97.88382
_cell_angle_gamma 90.00000
_cell_volume 382.28247
_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
Mg1 Mg 0.33387 0.62639 0.91608 1.00000
Mg2 Mg 0.66613 0.12639 0.58392 1.00000
Mg3 Mg 0.66627 0.62357 0.58289 1.00000
Mg4 Mg 0.33373 0.12357 0.91711 1.00000
Mg5 Mg 0.99999 0.62521 0.25089 1.00000
Mg6 Mg 0.00001 0.12521 0.24911 1.00000
Mg7 Mg 0.99999 0.87479 0.75089 1.00000
Mg8 Mg 0.00001 0.37479 0.74911 1.00000
Mg9 Mg 0.66627 0.87643 0.08289 1.00000
Mg10 Mg 0.33373 0.37643 0.41711 1.00000
Mg11 Mg 0.33387 0.87361 0.41608 1.00000
Mg12 Mg 0.66613 0.37361 0.08392 1.00000
Pd1 Pd 0.83406 0.87439 0.41757 1.00000
Pd2 Pd 0.16594 0.37439 0.08243 1.00000
Pd3 Pd 0.83406 0.62561 0.91757 1.00000
Pd4 Pd 0.16594 0.12561 0.58243 1.00000
Pt1 Pt 0.49901 0.87482 0.74705 1.00000
Pt2 Pt 0.50099 0.37482 0.75295 1.00000
Pt3 Pt 0.16657 0.87544 0.08537 1.00000
Pt4 Pt 0.83343 0.37544 0.41463 1.00000
Pt5 Pt 0.16657 0.62456 0.58537 1.00000
Pt6 Pt 0.83343 0.12456 0.91463 1.00000
Pt7 Pt 0.49901 0.62518 0.24705 1.00000
Pt8 Pt 0.50099 0.12518 0.25295 1.00000
