NaV2As2(O4F)2
Alexandria ALEXAlex-ID: agm010369342 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E8_29_spg1
NaV2(As2O7)2 VOF2 NaVAsO4F
2024-07-31 19:58:58.267108
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010369342).
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 agm010369342
data_agm010369342
_cell_length_a 5.50410
_cell_length_b 5.60789
_cell_length_c 7.54895
_cell_angle_alpha 106.72903
_cell_angle_beta 105.75969
_cell_angle_gamma 103.35648
_cell_volume 202.31439
_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 0.67303 0.32720 0.74480 1.00000
V1 V 0.99870 0.99827 0.00836 1.00000
V2 V 0.99614 0.99312 0.50054 1.00000
As1 As 0.68011 0.31155 0.26462 1.00000
As2 As 0.31253 0.68567 0.74576 1.00000
O1 O 0.76338 0.62521 0.42614 1.00000
O2 O 0.68941 0.11134 0.39864 1.00000
O3 O 0.34805 0.22428 0.10814 1.00000
O4 O 0.10091 0.69005 0.87744 1.00000
O5 O 0.85660 0.28160 0.10654 1.00000
O6 O 0.63938 0.75159 0.90241 1.00000
O7 O 0.32168 0.91261 0.63455 1.00000
O8 O 0.24544 0.37132 0.58645 1.00000
F1 F 0.93345 0.07875 0.76632 1.00000
F2 F 0.05666 0.90831 0.24036 1.00000
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