NaV2AgO6
Alexandria ALEXAlex-ID: agm062489901 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_13_spg15
NaVO3 VAgO3
2024-10-25 16:52:50.136712
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062489901).
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 agm062489901
data_agm062489901
_cell_length_a 7.46471
_cell_length_b 7.46471
_cell_length_c 5.92934
_cell_angle_alpha 75.03240
_cell_angle_beta 75.03240
_cell_angle_gamma 88.88600
_cell_volume 307.95920
_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 0.90079 0.09921 0.25000 1.00000
Na2 Na 0.09921 0.90079 0.75000 1.00000
V1 V 0.77192 0.60802 0.27436 1.00000
V2 V 0.39198 0.22808 0.22564 1.00000
V3 V 0.22808 0.39198 0.72564 1.00000
V4 V 0.60802 0.77192 0.77436 1.00000
Ag1 Ag 0.24622 0.75378 0.25000 1.00000
Ag2 Ag 0.75378 0.24622 0.75000 1.00000
O1 O 0.94359 0.77627 0.16465 1.00000
O2 O 0.22373 0.05641 0.33535 1.00000
O3 O 0.05641 0.22373 0.83535 1.00000
O4 O 0.77627 0.94359 0.66465 1.00000
O5 O 0.85943 0.39733 0.35862 1.00000
O6 O 0.60267 0.14057 0.14138 1.00000
O7 O 0.14057 0.60267 0.64138 1.00000
O8 O 0.39733 0.85943 0.85862 1.00000
O9 O 0.66258 0.61026 0.03308 1.00000
O10 O 0.38974 0.33742 0.46692 1.00000
O11 O 0.33742 0.38974 0.96692 1.00000
O12 O 0.61026 0.66258 0.53308 1.00000
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