Al2Ga2Fe7
Alexandria ALEXAlex-ID: agm005570588 · 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
A2B2C7_252_spg12
AlFe4 Ga3Fe AlFe
2023-06-03 22:59:42.640668
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005570588).
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 agm005570588
data_agm005570588
_cell_length_a 5.03184
_cell_length_b 5.98221
_cell_length_c 5.03184
_cell_angle_alpha 100.20613
_cell_angle_beta 95.28999
_cell_angle_gamma 100.20611
_cell_volume 145.51130
_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
Al1 Al 0.81204 1.00000 0.18796 1.00000
Al2 Al 0.18796 0.00000 0.81204 1.00000
Ga1 Ga 0.61468 0.36030 0.61468 1.00000
Ga2 Ga 0.38532 0.63970 0.38532 1.00000
Fe1 Fe 0.09713 0.31745 0.54604 1.00000
Fe2 Fe 0.45396 0.68255 0.90287 1.00000
Fe3 Fe 0.90287 0.68255 0.45396 1.00000
Fe4 Fe 0.54604 0.31745 0.09713 1.00000
Fe5 Fe 0.00000 0.50000 0.00000 1.00000
Fe6 Fe 0.30691 0.00616 0.30691 1.00000
Fe7 Fe 0.69309 0.99384 0.69309 1.00000
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