Rb2SrV2O7
Alexandria ALEXAlex-ID: agm033480853 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_10_spg44
Rb2SrV2O7
2025-04-01 13:34:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033480853).
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
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# CIF generated by HEAS from Alexandria entry agm033480853
data_agm033480853
_cell_length_a 5.85291
_cell_length_b 5.92643
_cell_length_c 8.38866
_cell_angle_alpha 100.21054
_cell_angle_beta 110.56589
_cell_angle_gamma 96.46428
_cell_volume 263.24592
_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 0.23768 0.74227 0.46336 1.00000
Rb2 Rb 0.77789 0.24916 0.53287 1.00000
Sr1 Sr 0.94023 0.92862 0.97797 1.00000
V1 V 0.42423 0.28730 0.81923 1.00000
V2 V 0.59918 0.72925 0.18784 1.00000
O1 O 0.16975 0.17479 0.85710 1.00000
O2 O 0.68556 0.62405 0.37240 1.00000
O3 O 0.30910 0.79716 0.14891 1.00000
O4 O 0.81606 0.97657 0.22783 1.00000
O5 O 0.32108 0.37398 0.62778 1.00000
O6 O 0.59199 0.07207 0.79003 1.00000
O7 O 0.62726 0.54509 0.99467 1.00000
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