AcIn2F9
Alexandria ALEXAlex-ID: agm101975981 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_706_spg10
InF3 AcF3
2025-05-19 14:58:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101975981).
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 agm101975981
data_agm101975981
_cell_length_a 4.15715
_cell_length_b 6.93950
_cell_length_c 7.96518
_cell_angle_alpha 76.24262
_cell_angle_beta 90.23658
_cell_angle_gamma 89.66225
_cell_volume 223.18403
_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 0.08332 0.04153 0.95842 1.00000
In1 In 0.08425 0.79083 0.56263 1.00000
In2 In 0.08242 0.29278 0.35397 1.00000
F1 F 0.58421 0.78700 0.55422 1.00000
F2 F 0.08330 0.54174 0.45836 1.00000
F3 F 0.08102 0.34268 0.09134 1.00000
F4 F 0.58110 0.20649 0.83280 1.00000
F5 F 0.58246 0.29641 0.36235 1.00000
F6 F 0.08361 0.98730 0.31224 1.00000
F7 F 0.58555 0.87642 0.08403 1.00000
F8 F 0.08300 0.09622 0.60437 1.00000
F9 F 0.08575 0.74062 0.82527 1.00000
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