Ac2(H3I)3
Alexandria ALEXAlex-ID: agm006200962 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1481_spg2
AcH2I AcHI2 H2
2024-02-02 02:52:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200962).
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 agm006200962
data_agm006200962
_cell_length_a 5.86574
_cell_length_b 7.61699
_cell_length_c 7.73039
_cell_angle_alpha 118.71763
_cell_angle_beta 89.06743
_cell_angle_gamma 109.65928
_cell_volume 280.79482
_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 0.31786 0.63113 0.85551 1.00000
Ac2 Ac 0.68214 0.36887 0.14449 1.00000
I1 I 0.32262 0.65753 0.43000 1.00000
I2 I 0.00000 0.00000 0.00000 1.00000
I3 I 0.67738 0.34247 0.57000 1.00000
H1 H 0.84841 0.82433 0.31918 1.00000
H2 H 0.03609 0.17827 0.64053 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.96391 0.82173 0.35947 1.00000
H5 H 0.72957 0.80985 0.04298 1.00000
H6 H 0.27043 0.19015 0.95702 1.00000
H7 H 0.15159 0.17567 0.68082 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
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