KPmRhO4
Alexandria ALEXAlex-ID: agm005050996 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_564_spg11
KPmO2 K3Rh3O8 K4(RhO2)7 Pm2O3
2022-07-16 03:49:06.312906
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005050996).
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 agm005050996
data_agm005050996
_cell_length_a 5.91439
_cell_length_b 5.58618
_cell_length_c 8.20544
_cell_angle_alpha 90.00000
_cell_angle_beta 116.19315
_cell_angle_gamma 90.00000
_cell_volume 243.25916
_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
K1 K 0.48861 0.75000 0.88144 1.00000
K2 K 0.51139 0.25000 0.11856 1.00000
Pm1 Pm 0.77599 0.75000 0.47668 1.00000
Pm2 Pm 0.22401 0.25000 0.52332 1.00000
Rh1 Rh 0.16637 0.75000 0.28203 1.00000
Rh2 Rh 0.83363 0.25000 0.71797 1.00000
O1 O 0.06830 0.48118 0.69524 1.00000
O2 O 0.93170 0.98118 0.30476 1.00000
O3 O 0.93170 0.51882 0.30476 1.00000
O4 O 0.06830 0.01882 0.69524 1.00000
O5 O 0.39221 0.75000 0.18124 1.00000
O6 O 0.60779 0.25000 0.81876 1.00000
O7 O 0.41196 0.75000 0.53525 1.00000
O8 O 0.58804 0.25000 0.46475 1.00000
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