Nb2Fe3Ge2
Alexandria ALEXAlex-ID: agm009762147 · 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
A2B2C3_1645_spg2
Fe5Ge Nb2Fe3Ge NbFeGe
2024-07-18 04:45:08.816017
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009762147).
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 agm009762147
data_agm009762147
_cell_length_a 5.01568
_cell_length_b 5.01568
_cell_length_c 6.04727
_cell_angle_alpha 98.63236
_cell_angle_beta 98.63236
_cell_angle_gamma 42.41219
_cell_volume 101.26781
_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 0.38034 0.38034 0.17134 1.00000
Nb2 Nb 0.61966 0.61966 0.82866 1.00000
Fe1 Fe 0.70052 0.70052 0.39426 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
Fe3 Fe 0.29948 0.29948 0.60574 1.00000
Ge1 Ge 0.89883 0.89883 0.83503 1.00000
Ge2 Ge 0.10117 0.10117 0.16497 1.00000
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