NaV5MoO15
Alexandria ALEXAlex-ID: agm005237678 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5D15_7_spg8
Na2Mo2O7 V4O9 NaV3O8 MoO3
2023-05-09 04:54:01.510357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237678).
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 agm005237678
data_agm005237678
_cell_length_a 8.21163
_cell_length_b 8.21163
_cell_length_c 10.28880
_cell_angle_alpha 70.87852
_cell_angle_beta 70.87852
_cell_angle_gamma 26.34121
_cell_volume 289.89842
_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 0.00122 0.00122 0.61123 1.00000
V1 V 0.28450 0.28450 0.58641 1.00000
V2 V 0.71072 0.71072 0.41123 1.00000
V3 V 0.33479 0.33479 0.89529 1.00000
V4 V 0.66525 0.66525 0.09638 1.00000
V5 V 0.12704 0.12704 0.87465 1.00000
Mo1 Mo 0.88696 0.88696 0.11084 1.00000
O1 O 0.23816 0.23816 0.42676 1.00000
O2 O 0.75679 0.75679 0.56711 1.00000
O3 O 0.26194 0.26194 0.77135 1.00000
O4 O 0.73667 0.73667 0.22488 1.00000
O5 O 0.18983 0.18983 0.05241 1.00000
O6 O 0.81712 0.81712 0.95838 1.00000
O7 O 0.43287 0.43287 0.77151 1.00000
O8 O 0.56978 0.56978 0.21634 1.00000
O9 O 0.00164 0.00164 0.00798 1.00000
O10 O 0.10985 0.10985 0.72508 1.00000
O11 O 0.88634 0.88634 0.27870 1.00000
O12 O 0.39194 0.39194 0.52746 1.00000
O13 O 0.60283 0.60283 0.47601 1.00000
O14 O 0.63617 0.63617 0.93184 1.00000
O15 O 0.36661 0.36661 0.07615 1.00000
