Ac4Fe
Alexandria ALEXAlex-ID: agm005545461 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_188_spg43
Fe Ac
2023-05-29 00:06:37.769443
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005545461).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005545461
data_agm005545461
_cell_length_a 8.18101
_cell_length_b 7.94748
_cell_length_c 8.15685
_cell_angle_alpha 75.04215
_cell_angle_beta 59.90197
_cell_angle_gamma 59.02312
_cell_volume 393.39692
_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
Ac1 Ac 0.42268 0.76715 0.83936 1.00000
Ac2 Ac 0.02920 0.23285 0.16064 1.00000
Ac3 Ac 0.01620 0.25983 0.67389 1.00000
Ac4 Ac 0.94992 0.74017 0.32611 1.00000
Ac5 Ac 0.52603 0.24017 0.17389 1.00000
Ac6 Ac 0.94009 0.75983 0.82611 1.00000
Ac7 Ac 0.51205 0.26715 0.66064 1.00000
Ac8 Ac 0.43983 0.73285 0.33936 1.00000
Fe1 Fe 0.23399 0.50000 0.50000 1.00000
Fe2 Fe 0.98399 1.00000 0.00000 1.00000
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