Na2V2CoH4(OF)6
Alexandria ALEXAlex-ID: agm005229821 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E6F6_0_spg14
Na2VF6 H2O CoHO2 V2O5
2024-10-19 03:04:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005229821).
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 agm005229821
data_agm005229821
_cell_length_a 5.33012
_cell_length_b 8.39924
_cell_length_c 10.50777
_cell_angle_alpha 91.62847
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 470.23161
_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 0.44941 0.53357 0.66416 1.00000
Na2 Na 0.94941 0.46643 0.83584 1.00000
Na3 Na 0.55059 0.46643 0.33584 1.00000
Na4 Na 0.05059 0.53357 0.16416 1.00000
V1 V 0.97567 0.71055 0.50665 1.00000
V2 V 0.47567 0.28945 0.99335 1.00000
V3 V 0.02433 0.28945 0.49335 1.00000
V4 V 0.52433 0.71055 0.00665 1.00000
Co1 Co 0.50000 0.00000 0.50000 1.00000
Co2 Co 0.00000 0.00000 0.00000 1.00000
H1 H 0.52379 0.83977 0.27197 1.00000
H2 H 0.02379 0.16023 0.22803 1.00000
H3 H 0.47621 0.16023 0.72803 1.00000
H4 H 0.97621 0.83977 0.77197 1.00000
H5 H 0.70977 0.98343 0.26511 1.00000
H6 H 0.20977 0.01657 0.23489 1.00000
H7 H 0.29023 0.01657 0.73489 1.00000
H8 H 0.79023 0.98343 0.76511 1.00000
O1 O 0.70688 0.80537 0.54544 1.00000
O2 O 0.20688 0.19463 0.95456 1.00000
O3 O 0.29312 0.19463 0.45456 1.00000
O4 O 0.79312 0.80537 0.04544 1.00000
O5 O 0.19032 0.85154 0.48569 1.00000
O6 O 0.69032 0.14846 0.01431 1.00000
O7 O 0.80968 0.14846 0.51431 1.00000
O8 O 0.30968 0.85154 0.98569 1.00000
O9 O 0.54473 0.95264 0.29952 1.00000
O10 O 0.04473 0.04736 0.20048 1.00000
O11 O 0.45527 0.04736 0.70048 1.00000
O12 O 0.95527 0.95264 0.79952 1.00000
F1 F 0.22429 0.51919 0.47072 1.00000
F2 F 0.72429 0.48081 0.02928 1.00000
F3 F 0.77571 0.48081 0.52928 1.00000
F4 F 0.27571 0.51919 0.97072 1.00000
F5 F 0.88627 0.66625 0.33541 1.00000
F6 F 0.38627 0.33375 0.16459 1.00000
F7 F 0.11373 0.33375 0.66459 1.00000
F8 F 0.61373 0.66625 0.83541 1.00000
F9 F 0.06999 0.66825 0.68144 1.00000
F10 F 0.56999 0.33175 0.81856 1.00000
F11 F 0.93001 0.33175 0.31856 1.00000
F12 F 0.43001 0.66825 0.18144 1.00000
