Na2FeRhO4
Alexandria ALEXAlex-ID: agm010286172 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_319_spg12
Na5Fe3(RhO5)2 NaRhO2
2024-12-20 02:57:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010286172).
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
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# CIF generated by HEAS from Alexandria entry agm010286172
data_agm010286172
_cell_length_a 5.62937
_cell_length_b 5.62937
_cell_length_c 10.72501
_cell_angle_alpha 80.87661
_cell_angle_beta 99.12339
_cell_angle_gamma 147.93966
_cell_volume 177.93674
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Na2 Na 0.50288 0.49712 0.75008 1.00000
Na3 Na 0.00000 0.00000 0.50000 1.00000
Na4 Na 0.49712 0.50288 0.24992 1.00000
Fe1 Fe 0.24981 0.75019 0.37697 1.00000
Fe2 Fe 0.75019 0.24981 0.62303 1.00000
Rh1 Rh 0.74908 0.25092 0.12827 1.00000
Rh2 Rh 0.25092 0.74908 0.87173 1.00000
O1 O 0.85238 0.14762 0.80463 1.00000
O2 O 0.35187 0.64813 0.55869 1.00000
O3 O 0.85135 0.14865 0.31322 1.00000
O4 O 0.34741 0.65259 0.05807 1.00000
O5 O 0.64813 0.35187 0.44131 1.00000
O6 O 0.14762 0.85238 0.19537 1.00000
O7 O 0.65259 0.34741 0.94193 1.00000
O8 O 0.14865 0.85135 0.68678 1.00000
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