Sr3(GaFe)2
Alexandria ALEXAlex-ID: agm010118552 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_33_spg71
Sr8Ga7 Sr Fe
2024-06-24 11:55:26.853894
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010118552).
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 agm010118552
data_agm010118552
_cell_length_a 9.77229
_cell_length_b 9.77229
_cell_length_c 9.77229
_cell_angle_alpha 154.60556
_cell_angle_beta 151.73636
_cell_angle_gamma 38.35742
_cell_volume 189.20779
_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
Sr1 Sr 0.00000 0.50000 0.50000 1.00000
Sr2 Sr 0.18096 0.18096 0.00000 1.00000
Sr3 Sr 0.81904 0.81904 0.00000 1.00000
Ga1 Ga 0.62625 0.62625 0.00000 1.00000
Ga2 Ga 0.37375 0.37375 0.00000 1.00000
Fe1 Fe 0.55791 0.05791 0.50000 1.00000
Fe2 Fe 0.44209 0.94209 0.50000 1.00000
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