Ac2HI5
Alexandria ALEXAlex-ID: agm005996843 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_869_spg63
AcHI2 AcI3
2023-07-10 14:07:03.488869
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996843).
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 agm005996843
data_agm005996843
_cell_length_a 4.09667
_cell_length_b 8.26042
_cell_length_c 21.97292
_cell_angle_alpha 90.00002
_cell_angle_beta 90.00000
_cell_angle_gamma 104.35740
_cell_volume 720.34425
_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 0.75421 0.50842 0.34092 1.00000
Ac2 Ac 0.75421 0.50842 0.15908 1.00000
Ac3 Ac 0.24579 0.49158 0.65908 1.00000
Ac4 Ac 0.24579 0.49158 0.84092 1.00000
H1 H 0.78672 0.57345 0.75000 1.00000
H2 H 0.21328 0.42655 0.25000 1.00000
I1 I 0.89622 0.79243 0.87818 1.00000
I2 I 0.89622 0.79243 0.62182 1.00000
I3 I 0.34898 0.69796 0.43360 1.00000
I4 I 0.34898 0.69796 0.06640 1.00000
I5 I 0.39535 0.79069 0.25000 1.00000
I6 I 0.60465 0.20931 0.75000 1.00000
I7 I 0.65102 0.30204 0.56640 1.00000
I8 I 0.65102 0.30204 0.93360 1.00000
I9 I 0.10378 0.20757 0.12182 1.00000
I10 I 0.10378 0.20757 0.37818 1.00000
Get direct link