MgMn2HPt6
Alexandria ALEXAlex-ID: agm007639299 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1285_spg2
MgMnPt2 MnPt2 MgH6Pt MgMnPt6
2024-03-16 10:07:29.974550
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007639299).
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 agm007639299
data_agm007639299
_cell_length_a 4.85956
_cell_length_b 4.84383
_cell_length_c 7.34100
_cell_angle_alpha 109.96538
_cell_angle_beta 83.92838
_cell_angle_gamma 111.08095
_cell_volume 151.51507
_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 0.03783 0.52193 0.54549 1.00000
Mn1 Mn 0.53609 0.83443 0.16466 1.00000
Mn2 Mn 0.52415 0.20824 0.93389 1.00000
H1 H 0.71863 0.80888 0.57765 1.00000
Pt1 Pt 0.03213 0.31907 0.13969 1.00000
Pt2 Pt 0.53820 0.42994 0.34240 1.00000
Pt3 Pt 0.04575 0.93182 0.34890 1.00000
Pt4 Pt 0.02067 0.11595 0.74110 1.00000
Pt5 Pt 0.51899 0.60810 0.75232 1.00000
Pt6 Pt 0.02757 0.72164 0.95388 1.00000
获取直接链接