MnRe2B
Alexandria ALEXAlex-ID: agm005708602 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_4274_spg44
Mn7Re6 Re3B MnB
2023-07-11 19:58:26.701895
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708602).
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 agm005708602
data_agm005708602
_cell_length_a 4.08837
_cell_length_b 4.94305
_cell_length_c 6.38110
_cell_angle_alpha 58.86975
_cell_angle_beta 71.31595
_cell_angle_gamma 65.57221
_cell_volume 99.56037
_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 0.49971 0.25000 0.75000 1.00000
Mn2 Mn 0.50029 0.75000 0.25000 1.00000
Re1 Re 0.18312 0.22529 0.40857 1.00000
Re2 Re 0.81688 0.77471 0.59143 1.00000
Re3 Re 0.18303 0.72529 0.90857 1.00000
Re4 Re 0.81697 0.27471 0.09143 1.00000
B1 B 0.00040 0.75000 0.25000 1.00000
B2 B 0.99960 0.25000 0.75000 1.00000
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