Mn5Pt4
Alexandria ALEXAlex-ID: agm005503196 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_4_spg139
MnPt Mn2Pt
2023-03-19 13:50:35.524206
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503196).
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 agm005503196
data_agm005503196
_cell_length_a 6.14286
_cell_length_b 6.14286
_cell_length_c 6.14286
_cell_angle_alpha 95.66371
_cell_angle_beta 95.66371
_cell_angle_gamma 143.38113
_cell_volume 131.26608
_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
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.33583 0.66417 0.00000 1.00000
Mn3 Mn 0.66417 0.66417 0.32834 1.00000
Mn4 Mn 0.33583 0.33583 0.67166 1.00000
Mn5 Mn 0.66417 0.33583 0.00000 1.00000
Pt1 Pt 0.32099 0.00000 0.32099 1.00000
Pt2 Pt 0.67901 0.00000 0.67901 1.00000
Pt3 Pt 0.00000 0.67901 0.67901 1.00000
Pt4 Pt 0.00000 0.32099 0.32099 1.00000
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