Rb3(FeO2)2
Alexandria ALEXAlex-ID: agm005643457 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_14_spg15
Rb4Fe2O5 Rb2Fe2O3
2023-06-27 20:25:18.080388
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643457).
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 agm005643457
data_agm005643457
_cell_length_a 6.02528
_cell_length_b 7.77823
_cell_length_c 7.77823
_cell_angle_alpha 71.49922
_cell_angle_beta 88.56496
_cell_angle_gamma 88.56495
_cell_volume 345.53057
_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 0.95291 0.97309 0.25765 1.00000
Rb2 Rb 0.54709 0.74235 0.02691 1.00000
Rb3 Rb 0.04709 0.02691 0.74235 1.00000
Rb4 Rb 0.45291 0.25765 0.97309 1.00000
Rb5 Rb 0.25000 0.59447 0.40553 1.00000
Rb6 Rb 0.75000 0.40553 0.59447 1.00000
Fe1 Fe 0.43878 0.16864 0.40114 1.00000
Fe2 Fe 0.06122 0.59886 0.83136 1.00000
Fe3 Fe 0.56122 0.83136 0.59886 1.00000
Fe4 Fe 0.93878 0.40114 0.16864 1.00000
O1 O 0.47970 0.94002 0.33636 1.00000
O2 O 0.02030 0.66364 0.05998 1.00000
O3 O 0.52030 0.05998 0.66364 1.00000
O4 O 0.97970 0.33636 0.94002 1.00000
O5 O 0.13101 0.26193 0.36762 1.00000
O6 O 0.36899 0.63238 0.73807 1.00000
O7 O 0.86899 0.73807 0.63238 1.00000
O8 O 0.63101 0.36762 0.26193 1.00000
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