MnBeIr
Alexandria ALEXAlex-ID: agm003044729 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_84_spg12
MnBe6Ir5 MnBe2Ir Mn3Ir
2023-03-28 09:16:59.650792
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003044729).
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
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# CIF generated by HEAS from Alexandria entry agm003044729
data_agm003044729
_cell_length_a 4.02828
_cell_length_b 4.06591
_cell_length_c 4.78071
_cell_angle_alpha 89.99524
_cell_angle_beta 65.07528
_cell_angle_gamma 90.00070
_cell_volume 71.00857
_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
Be1 Be 0.18675 0.58686 0.94741 1.00000
Be2 Be 0.37669 0.08656 0.56617 1.00000
Mn1 Mn 0.84919 0.58722 0.62245 1.00000
Mn2 Mn 0.71465 0.08719 0.89071 1.00000
Ir1 Ir 0.52726 0.58711 0.26633 1.00000
Ir2 Ir 0.03663 0.08718 0.24685 1.00000
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