Nb4Ge3
Alexandria ALEXAlex-ID: agm003290263 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_106_spg139
NbGe2 Nb5Ge3
2022-01-16 15:35:10.283553
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003290263).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003290263
data_agm003290263
_cell_length_a 3.47747
_cell_length_b 3.47747
_cell_length_c 10.25002
_cell_angle_alpha 99.76644
_cell_angle_beta 99.76645
_cell_angle_gamma 90.00000
_cell_volume 120.33171
_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 0.14713 0.14713 0.29427 1.00000
Nb2 Nb 0.42992 0.42992 0.85983 1.00000
Nb3 Nb 0.57008 0.57008 0.14017 1.00000
Nb4 Nb 0.85287 0.85287 0.70573 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ge2 Ge 0.28959 0.28959 0.57918 1.00000
Ge3 Ge 0.71041 0.71041 0.42082 1.00000
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