RbHfI5
Alexandria ALEXAlex-ID: agm005754972 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_339_spg15
Rb2HfI6 HfI4
2023-07-15 01:41:42.951407
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754972).
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 agm005754972
data_agm005754972
_cell_length_a 9.37734
_cell_length_b 9.37734
_cell_length_c 12.15257
_cell_angle_alpha 81.22929
_cell_angle_beta 118.26915
_cell_angle_gamma 125.72017
_cell_volume 752.53788
_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
Rb1 Rb 0.78150 0.53150 0.25000 1.00000
Rb2 Rb 0.21850 0.46850 0.75000 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Hf2 Hf 0.50000 0.00000 0.50000 1.00000
I1 I 0.75990 0.90694 0.11224 1.00000
I2 I 0.17074 0.90086 0.52479 1.00000
I3 I 0.70530 0.35234 0.61224 1.00000
I4 I 0.35164 0.10164 0.25000 1.00000
I5 I 0.87607 0.64595 0.97521 1.00000
I6 I 0.12393 0.35405 0.02479 1.00000
I7 I 0.64836 0.89836 0.75000 1.00000
I8 I 0.29469 0.64766 0.38776 1.00000
I9 I 0.82926 0.09914 0.47521 1.00000
I10 I 0.24010 0.09306 0.88776 1.00000
Get direct link