Na2VO3
Alexandria ALEXAlex-ID: agm005237671 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Na3VO4 NaVO2
2023-05-09 23:25:23.935608
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237671).
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 agm005237671
data_agm005237671
_cell_length_a 10.27881
_cell_length_b 9.79231
_cell_length_c 5.53068
_cell_angle_alpha 78.91590
_cell_angle_beta 69.21174
_cell_angle_gamma 31.87236
_cell_volume 268.00548
_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
Na1 Na 0.50596 0.50517 0.99560 1.00000
Na2 Na 0.58935 0.56717 0.41055 1.00000
Na3 Na 0.68283 0.66065 0.81707 1.00000
Na4 Na 0.74483 0.74404 0.25673 1.00000
Na5 Na 0.25673 0.25440 0.74483 1.00000
Na6 Na 0.81707 0.83945 0.68283 1.00000
Na7 Na 0.41055 0.43293 0.58935 1.00000
Na8 Na 0.99560 0.99327 0.50596 1.00000
V1 V 0.10554 0.06670 0.88874 1.00000
V2 V 0.18330 0.14446 0.31098 1.00000
V3 V 0.31098 0.36126 0.18330 1.00000
V4 V 0.88874 0.93902 0.10554 1.00000
O1 O 0.31092 0.87461 0.14785 1.00000
O2 O 0.90553 0.28866 0.63770 1.00000
O3 O 0.96134 0.34447 0.08188 1.00000
O4 O 0.37539 0.93908 0.58338 1.00000
O5 O 0.44287 0.04673 0.05883 1.00000
O6 O 0.05883 0.45157 0.44287 1.00000
O7 O 0.58338 0.10215 0.37539 1.00000
O8 O 0.08188 0.61230 0.96134 1.00000
O9 O 0.63770 0.16812 0.90553 1.00000
O10 O 0.14785 0.66662 0.31092 1.00000
O11 O 0.79843 0.19117 0.20327 1.00000
O12 O 0.20327 0.80713 0.79843 1.00000
