Rb2V(SO4)3
Alexandria ALEXAlex-ID: agm030987115 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_767_spg1
V2S2O11 Rb2S2O7 RbV(SO4)2
2025-04-01 03:06:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030987115).
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 agm030987115
data_agm030987115
_cell_length_a 5.41794
_cell_length_b 6.46061
_cell_length_c 9.19574
_cell_angle_alpha 86.25773
_cell_angle_beta 84.84801
_cell_angle_gamma 78.41569
_cell_volume 313.68160
_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
Rb1 Rb 0.71617 0.50426 0.25559 1.00000
Rb2 Rb 0.43860 0.98631 0.56135 1.00000
V1 V 0.88605 0.04505 0.93182 1.00000
S1 S 0.84778 0.57187 0.85835 1.00000
S2 S 0.35332 0.09392 0.12157 1.00000
S3 S 0.09472 0.53402 0.55365 1.00000
O1 O 0.62542 0.64871 0.78179 1.00000
O2 O 0.98368 0.03595 0.76023 1.00000
O3 O 0.90402 0.72097 0.96280 1.00000
O4 O 0.95982 0.74366 0.51044 1.00000
O5 O 0.51534 0.09691 0.97707 1.00000
O6 O 0.09246 0.53000 0.74671 1.00000
O7 O 0.27254 0.30792 0.17229 1.00000
O8 O 0.97664 0.35986 0.52506 1.00000
O9 O 0.85075 0.37061 0.94628 1.00000
O10 O 0.48947 0.94587 0.22823 1.00000
O11 O 0.12612 0.00603 0.08377 1.00000
O12 O 0.36723 0.49777 0.52288 1.00000
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