Rb3ZrO4
Alexandria ALEXAlex-ID: agm002298205 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_9_spg5
Rb2O3 Rb2ZrO3 Rb4ZrO4
2023-03-26 13:03:19.482173
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002298205).
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 agm002298205
data_agm002298205
_cell_length_a 6.90895
_cell_length_b 6.52446
_cell_length_c 6.52446
_cell_angle_alpha 64.96783
_cell_angle_beta 57.30762
_cell_angle_gamma 57.30762
_cell_volume 204.68714
_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
O1 O 0.20572 0.49597 0.83031 1.00000
O2 O 0.79428 0.16969 0.50403 1.00000
O3 O 0.39389 0.56975 0.24102 1.00000
O4 O 0.60611 0.75898 0.43025 1.00000
Rb1 Rb 0.75125 0.72502 0.78113 1.00000
Rb2 Rb 1.00000 0.91440 0.08560 1.00000
Rb3 Rb 0.24875 0.21887 0.27498 1.00000
Zr1 Zr 0.50000 0.49633 0.50367 1.00000
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