Rb2Li2Fe
Alexandria ALEXAlex-ID: agm002929596 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_168_spg139
Rb Li Fe
2016-12-05 22:58:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002929596).
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 agm002929596
data_agm002929596
_cell_length_a 4.08433
_cell_length_b 4.08433
_cell_length_c 12.00937
_cell_angle_alpha 80.20942
_cell_angle_beta 80.20942
_cell_angle_gamma 90.00000
_cell_volume 194.45766
_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
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Rb1 Rb 0.40011 0.40011 0.19979 1.00000
Rb2 Rb 0.59989 0.59989 0.80021 1.00000
Li1 Li 0.75000 0.25000 0.50000 1.00000
Li2 Li 0.25000 0.75000 0.50000 1.00000
