AcIn2F8
Alexandria ALEXAlex-ID: agm005998088 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_139_spg164
InF2 InF3 AcF3
2023-10-15 21:07:16.537042
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998088).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005998088
data_agm005998088
_cell_length_a 4.36754
_cell_length_b 7.35080
_cell_length_c 7.35913
_cell_angle_alpha 120.01277
_cell_angle_beta 90.02276
_cell_angle_gamma 90.03252
_cell_volume 204.58454
_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 0.00000 0.00000 0.99999 1.00000
F1 F 0.21801 0.66672 0.33332 1.00000
F2 F 0.78199 0.33328 0.66664 1.00000
F3 F 0.72682 0.83271 0.16534 1.00000
F4 F 0.27288 0.16553 0.33275 1.00000
F5 F 0.27356 0.66747 0.83286 1.00000
F6 F 0.27318 0.16729 0.83465 1.00000
F7 F 0.72712 0.83446 0.66723 1.00000
F8 F 0.72644 0.33253 0.16714 1.00000
In1 In 0.28444 0.33322 0.66659 1.00000
In2 In 0.71556 0.66678 0.33339 1.00000
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