Nb7Ga5
Alexandria ALEXAlex-ID: agm003293237 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B7_106_spg12
Nb5Ga13 Nb3Ga2
2022-01-17 04:36:59.882059
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003293237).
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 agm003293237
data_agm003293237
_cell_length_a 3.82230
_cell_length_b 5.16366
_cell_length_c 12.59531
_cell_angle_alpha 110.10354
_cell_angle_beta 90.00000
_cell_angle_gamma 111.72275
_cell_volume 214.55202
_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 0.21299 0.42598 0.66728 1.00000
Nb2 Nb 0.78701 0.57402 0.33272 1.00000
Nb3 Nb 0.05529 0.11057 0.21339 1.00000
Nb4 Nb 0.94471 0.88943 0.78661 1.00000
Nb5 Nb 0.68948 0.37896 0.05221 1.00000
Nb6 Nb 0.50000 0.00000 0.50000 1.00000
Nb7 Nb 0.31052 0.62104 0.94779 1.00000
Ga1 Ga 0.16288 0.32577 0.43723 1.00000
Ga2 Ga 0.83712 0.67423 0.56277 1.00000
Ga3 Ga 0.35095 0.70189 0.20204 1.00000
Ga4 Ga 0.64905 0.29811 0.79796 1.00000
Ga5 Ga 0.00000 0.00000 0.00000 1.00000
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