Nb2VRh4
Alexandria ALEXAlex-ID: agm003448971 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1229_spg11
V3Rh NbRh2 NbRh
2022-02-20 04:35:59.009495
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003448971).
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 agm003448971
data_agm003448971
_cell_length_a 5.81148
_cell_length_b 5.13887
_cell_length_c 8.08314
_cell_angle_alpha 90.00000
_cell_angle_beta 113.02382
_cell_angle_gamma 90.00000
_cell_volume 222.16926
_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 0.69499 0.75000 0.00878 1.00000
Nb2 Nb 0.30501 0.25000 0.99122 1.00000
Nb3 Nb 0.33255 0.25000 0.41343 1.00000
Nb4 Nb 0.66745 0.75000 0.58657 1.00000
V1 V 0.24220 0.75000 0.17987 1.00000
V2 V 0.75780 0.25000 0.82013 1.00000
Rh1 Rh 0.64097 0.49721 0.28519 1.00000
Rh2 Rh 0.08041 0.75000 0.86409 1.00000
Rh3 Rh 0.91959 0.25000 0.13591 1.00000
Rh4 Rh 0.64097 0.00279 0.28519 1.00000
Rh5 Rh 0.90805 0.25000 0.59545 1.00000
Rh6 Rh 0.35903 0.99721 0.71481 1.00000
Rh7 Rh 0.35903 0.50279 0.71481 1.00000
Rh8 Rh 0.09195 0.75000 0.40455 1.00000
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