MnZn3Pt
Alexandria ALEXAlex-ID: agm005890547 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_8258_spg12
Zn3Pt Mn
2023-07-07 20:02:24.480023
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005890547).
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 agm005890547
data_agm005890547
_cell_length_a 2.84631
_cell_length_b 12.86725
_cell_length_c 14.10351
_cell_angle_alpha 66.26211
_cell_angle_beta 107.50990
_cell_angle_gamma 140.80423
_cell_volume 298.75961
_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 0.12882 0.92557 0.09323 1.00000
Mn2 Mn 0.87145 0.57447 0.40672 1.00000
Mn3 Mn 0.87118 0.07443 0.90677 1.00000
Mn4 Mn 0.12855 0.42553 0.59328 1.00000
Zn1 Zn 0.18336 0.35340 0.79692 1.00000
Zn2 Zn 0.81590 0.14649 0.70315 1.00000
Zn3 Zn 0.81664 0.64660 0.20308 1.00000
Zn4 Zn 0.18410 0.85351 0.29685 1.00000
Zn5 Zn 0.50165 0.86718 0.81112 1.00000
Zn6 Zn 0.49813 0.63280 0.68897 1.00000
Zn7 Zn 0.51150 0.45914 0.10338 1.00000
Zn8 Zn 0.48872 0.04087 0.39660 1.00000
Zn9 Zn 0.49835 0.13282 0.18888 1.00000
Zn10 Zn 0.50187 0.36720 0.31103 1.00000
Zn11 Zn 0.48850 0.54086 0.89662 1.00000
Zn12 Zn 0.51128 0.95913 0.60340 1.00000
Pt1 Pt 0.17451 0.76117 0.50714 1.00000
Pt2 Pt 0.82544 0.73879 0.99287 1.00000
Pt3 Pt 0.82549 0.23883 0.49286 1.00000
Pt4 Pt 0.17455 0.26121 0.00713 1.00000
