RbEr2Nb(FeO5)2
Alexandria ALEXAlex-ID: agm011104591 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E10_42_spg6
ErFeO3 ErNbO4 Rb3ErNb2O8 RbO4 Fe2O3
2024-07-19 08:16:46.575538
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011104591).
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 agm011104591
data_agm011104591
_cell_length_a 3.78922
_cell_length_b 3.92281
_cell_length_c 16.01101
_cell_angle_alpha 87.93949
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 237.83984
_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 0.50000 0.91121 0.52177 1.00000
Er1 Er 0.50000 0.86725 0.82226 1.00000
Er2 Er 0.50000 0.38726 0.12528 1.00000
Nb1 Nb 0.00000 0.78764 0.27732 1.00000
Fe1 Fe 0.00000 0.84243 0.01069 1.00000
Fe2 Fe 0.00000 0.38415 0.70160 1.00000
O1 O 0.00000 0.86285 0.89499 1.00000
O2 O 0.00000 0.76408 0.12925 1.00000
O3 O 0.00000 0.88033 0.72856 1.00000
O4 O 0.50000 0.37584 0.76186 1.00000
O5 O 0.00000 0.26879 0.24184 1.00000
O6 O 0.50000 0.73346 0.24258 1.00000
O7 O 0.00000 0.39966 0.59317 1.00000
O8 O 0.00000 0.77896 0.38894 1.00000
O9 O 0.00000 0.31896 0.03722 1.00000
O10 O 0.50000 0.82413 0.02267 1.00000
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