V2Re2O11
Alexandria ALEXAlex-ID: agm005265198 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C11_19_spg36
VRe2O9 VO2
2023-05-14 12:39:27.992824
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265198).
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 agm005265198
data_agm005265198
_cell_length_a 7.40340
_cell_length_b 7.40340
_cell_length_c 9.14641
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 122.47589
_cell_volume 422.92030
_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
V1 V 0.77546 0.22454 0.77618 1.00000
V2 V 0.43569 0.56431 0.50295 1.00000
V3 V 0.56431 0.43569 0.00295 1.00000
V4 V 0.22454 0.77546 0.27618 1.00000
Re1 Re 0.00130 0.99870 0.46950 1.00000
Re2 Re 0.29688 0.70312 0.86263 1.00000
Re3 Re 0.99870 0.00130 0.96950 1.00000
Re4 Re 0.70312 0.29688 0.36263 1.00000
O1 O 0.63444 0.36556 0.84603 1.00000
O2 O 0.83879 0.16121 0.33860 1.00000
O3 O 0.72555 0.83971 0.52284 1.00000
O4 O 0.94594 0.05406 0.79063 1.00000
O5 O 0.75304 0.24696 0.59478 1.00000
O6 O 0.16029 0.27445 0.52284 1.00000
O7 O 0.16121 0.83879 0.83860 1.00000
O8 O 0.64917 0.35083 0.17912 1.00000
O9 O 0.24696 0.75304 0.09478 1.00000
O10 O 0.42420 0.57580 0.96809 1.00000
O11 O 0.83971 0.72555 0.02284 1.00000
O12 O 0.36556 0.63444 0.34603 1.00000
O13 O 0.96620 0.56117 0.36486 1.00000
O14 O 0.03380 0.43883 0.86486 1.00000
O15 O 0.27445 0.16029 0.02284 1.00000
O16 O 0.56117 0.96620 0.86486 1.00000
O17 O 0.43883 0.03380 0.36486 1.00000
O18 O 0.57580 0.42420 0.46809 1.00000
O19 O 0.35083 0.64917 0.67912 1.00000
O20 O 0.05406 0.94594 0.29063 1.00000
O21 O 0.88748 0.11252 0.07008 1.00000
O22 O 0.11252 0.88748 0.57008 1.00000
