Rb2CoI4
Alexandria ALEXAlex-ID: agm003215367 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_206_spg11
CoI3 Co RbI
2021-12-04 23:48:25.817632
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003215367).
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 agm003215367
data_agm003215367
_cell_length_a 8.23988
_cell_length_b 7.93470
_cell_length_c 10.43827
_cell_angle_alpha 71.19723
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 646.04283
_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 0.25000 0.70985 0.95714 1.00000
Rb2 Rb 0.75000 0.29015 0.04286 1.00000
Rb3 Rb 0.75000 0.21461 0.57801 1.00000
Rb4 Rb 0.25000 0.78539 0.42199 1.00000
Co1 Co 0.75000 0.70311 0.21009 1.00000
Co2 Co 0.25000 0.29689 0.78991 1.00000
I1 I 0.25000 0.13397 0.04855 1.00000
I2 I 0.75000 0.86603 0.95145 1.00000
I3 I 0.25000 0.09008 0.64201 1.00000
I4 I 0.75000 0.90992 0.35799 1.00000
I5 I 0.00116 0.50586 0.72941 1.00000
I6 I 0.50116 0.49414 0.27059 1.00000
I7 I 0.99884 0.49414 0.27059 1.00000
I8 I 0.49884 0.50586 0.72941 1.00000
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