Nb2AlB2Ru2Rh3
Alexandria ALEXAlex-ID: agm010797095 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2E3_4_spg10
NbB3Ru Nb2B3 Nb2AlB2Ru3Rh2 Nb2BRh6 AlRh
2024-04-21 07:48:53.874326
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010797095).
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 agm010797095
data_agm010797095
_cell_length_a 2.94926
_cell_length_b 9.37690
_cell_length_c 9.44415
_cell_angle_alpha 89.93404
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 261.17658
_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
Nb1 Nb 0.00000 0.32739 0.82149 1.00000
Nb2 Nb 0.00000 0.67261 0.17851 1.00000
Nb3 Nb 0.00000 0.82063 0.67599 1.00000
Nb4 Nb 0.00000 0.17937 0.32401 1.00000
Al1 Al 0.00000 0.50000 0.50000 1.00000
Al2 Al 0.00000 0.00000 0.00000 1.00000
B1 B 0.00000 0.87627 0.37703 1.00000
B2 B 0.00000 0.12373 0.62297 1.00000
B3 B 0.00000 0.37982 0.12685 1.00000
B4 B 0.00000 0.62018 0.87315 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
Ru2 Ru 0.50000 0.00000 0.50000 1.00000
Ru3 Ru 0.50000 0.43029 0.28438 1.00000
Ru4 Ru 0.50000 0.56971 0.71562 1.00000
Rh1 Rh 0.50000 0.93126 0.21508 1.00000
Rh2 Rh 0.50000 0.06874 0.78492 1.00000
Rh3 Rh 0.50000 0.71472 0.43089 1.00000
Rh4 Rh 0.50000 0.28528 0.56911 1.00000
Rh5 Rh 0.50000 0.78417 0.93283 1.00000
Rh6 Rh 0.50000 0.21583 0.06717 1.00000
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