Ca2Y2Fe(RhO4)3
Alexandria ALEXAlex-ID: agm010780340 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
Y2Rh2O7 CaRhO3 Ca(RhO2)2 Ca(FeO2)2 Y2O3
2024-04-13 23:27:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010780340).
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 agm010780340
data_agm010780340
_cell_length_a 5.35282
_cell_length_b 5.68282
_cell_length_c 7.71697
_cell_angle_alpha 89.96872
_cell_angle_beta 89.74645
_cell_angle_gamma 90.00699
_cell_volume 234.74142
_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
Ca1 Ca 0.51261 0.56421 0.75501 1.00000
Ca2 Ca 0.02245 0.93299 0.24542 1.00000
Y1 Y 0.97128 0.07491 0.75734 1.00000
Y2 Y 0.48045 0.42808 0.24326 1.00000
Fe1 Fe 0.99845 0.50625 0.00012 1.00000
Rh1 Rh 0.50100 0.99635 0.49990 1.00000
Rh2 Rh 0.00053 0.50260 0.50000 1.00000
Rh3 Rh 0.49888 0.99688 0.00019 1.00000
O1 O 0.10064 0.45710 0.75076 1.00000
O2 O 0.37586 0.96071 0.75045 1.00000
O3 O 0.88389 0.53707 0.24901 1.00000
O4 O 0.61286 0.04511 0.24951 1.00000
O5 O 0.31252 0.69001 0.05442 1.00000
O6 O 0.19673 0.20298 0.43650 1.00000
O7 O 0.69500 0.29765 0.56335 1.00000
O8 O 0.81299 0.80432 0.94470 1.00000
O9 O 0.69538 0.29936 0.94953 1.00000
O10 O 0.81671 0.80809 0.55937 1.00000
O11 O 0.31669 0.69092 0.43993 1.00000
O12 O 0.19507 0.20439 0.05123 1.00000
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