Mn3Be2
Alexandria ALEXAlex-ID: agm005507424 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_588_spg43
Mn4Be3 Mn2Be
2023-03-19 16:52:46.215242
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507424).
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 agm005507424
data_agm005507424
_cell_length_a 7.00260
_cell_length_b 6.17497
_cell_length_c 4.49857
_cell_angle_alpha 80.33115
_cell_angle_beta 60.37564
_cell_angle_gamma 39.29321
_cell_volume 98.61451
_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 0.70701 0.49038 0.32090 1.00000
Mn2 Mn 0.48170 0.32090 0.49038 1.00000
Mn3 Mn 0.75962 0.54299 0.76830 1.00000
Mn4 Mn 0.92910 0.76830 0.54299 1.00000
Mn5 Mn 0.09372 0.90628 0.90628 1.00000
Mn6 Mn 0.34372 0.15628 0.15628 1.00000
Be1 Be 0.16354 0.92946 0.35298 1.00000
Be2 Be 0.55402 0.35298 0.92946 1.00000
Be3 Be 0.32054 0.08646 0.69598 1.00000
Be4 Be 0.89702 0.69598 0.08646 1.00000
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