BeNb3Rh2
Alexandria ALEXAlex-ID: agm005882882 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_570_spg65
BeNbRh Be3NbRh4 Nb3Rh
2023-08-07 05:46:01.004467
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005882882).
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 agm005882882
data_agm005882882
_cell_length_a 2.83582
_cell_length_b 4.76575
_cell_length_c 7.20901
_cell_angle_alpha 109.30161
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 91.95215
_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 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.00000 0.68109 0.36218 1.00000
Nb2 Nb 0.00000 0.31891 0.63782 1.00000
Nb3 Nb 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.50000 0.86022 0.72043 1.00000
Rh2 Rh 0.50000 0.13978 0.27957 1.00000
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