Rb2Mo2O5
Alexandria ALEXAlex-ID: agm005523935 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_249_spg46
Rb2MoO4 MoO2 Mo
2023-08-12 11:36:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005523935).
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 agm005523935
data_agm005523935
_cell_length_a 9.14756
_cell_length_b 9.14756
_cell_length_c 9.14756
_cell_angle_alpha 141.37230
_cell_angle_beta 141.00268
_cell_angle_gamma 56.05518
_cell_volume 298.37054
_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
Mo1 Mo 0.00000 0.02086 0.02086 1.00000
Mo2 Mo 0.50000 0.52086 0.02086 1.00000
Mo3 Mo 0.68549 0.71434 0.89982 1.00000
Mo4 Mo 0.31451 0.21434 0.02885 1.00000
O1 O 0.25113 0.24960 0.48693 1.00000
O2 O 0.74887 0.23581 0.99847 1.00000
O3 O 0.26266 0.74960 0.99847 1.00000
O4 O 0.73734 0.73581 0.48693 1.00000
O5 O 0.89653 0.87340 0.04344 1.00000
O6 O 0.10347 0.14691 0.97688 1.00000
O7 O 0.32997 0.37340 0.97688 1.00000
O8 O 0.67003 0.64691 0.04344 1.00000
O9 O 0.56643 0.42726 0.49369 1.00000
O10 O 0.43357 0.92726 0.86083 1.00000
Rb1 Rb 0.90202 0.38489 0.51295 1.00000
Rb2 Rb 0.09798 0.61093 0.48287 1.00000
Rb3 Rb 0.37194 0.88489 0.48287 1.00000
Rb4 Rb 0.62806 0.11093 0.51295 1.00000
Get direct link