CsVOF4
Alexandria ALEXAlex-ID: agm082331997 · Space group: Pna2_1 (#33)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_1561_spg33
CsVOF4
2025-03-18 03:00:57.840037
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm082331997).
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 agm082331997
data_agm082331997
_cell_length_a 6.75570
_cell_length_b 10.28928
_cell_length_c 8.82597
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 613.50441
_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
Cs1 Cs 0.51296 0.53767 0.18283 1.00000
Cs2 Cs 0.01296 0.46233 0.81717 1.00000
Cs3 Cs 0.01296 0.96233 0.68283 1.00000
Cs4 Cs 0.51296 0.03767 0.31717 1.00000
V1 V 0.53048 0.67847 0.66605 1.00000
V2 V 0.03048 0.32153 0.33395 1.00000
V3 V 0.03048 0.82153 0.16605 1.00000
V4 V 0.53048 0.17847 0.83395 1.00000
O1 O 0.57198 0.56430 0.54411 1.00000
O2 O 0.07198 0.43570 0.45589 1.00000
O3 O 0.07198 0.93570 0.04411 1.00000
O4 O 0.57198 0.06430 0.95589 1.00000
F1 F 0.08734 0.67343 0.05896 1.00000
F2 F 0.58734 0.32657 0.94104 1.00000
F3 F 0.58734 0.82657 0.55896 1.00000
F4 F 0.08734 0.17343 0.44104 1.00000
F5 F 0.26956 0.72301 0.65100 1.00000
F6 F 0.76956 0.27699 0.34900 1.00000
F7 F 0.76956 0.77699 0.15100 1.00000
F8 F 0.26956 0.22301 0.84900 1.00000
F9 F 0.76528 0.70725 0.76475 1.00000
F10 F 0.26528 0.29275 0.23525 1.00000
F11 F 0.26528 0.79275 0.26475 1.00000
F12 F 0.76528 0.20725 0.73525 1.00000
F13 F 0.95646 0.91426 0.33564 1.00000
F14 F 0.45646 0.08574 0.66436 1.00000
F15 F 0.45646 0.58574 0.83564 1.00000
F16 F 0.95646 0.41426 0.16436 1.00000
