YbVF5
Alexandria ALEXAlex-ID: agm078768655 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_253_spg2
VF3 YbF2
2025-01-09 10:14:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078768655).
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 agm078768655
data_agm078768655
_cell_length_a 5.69363
_cell_length_b 5.69363
_cell_length_c 7.82392
_cell_angle_alpha 69.98178
_cell_angle_beta 110.01822
_cell_angle_gamma 108.42771
_cell_volume 218.15178
_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
Yb1 Yb 0.45269 0.45269 0.75000 1.00000
Yb2 Yb 0.54731 0.54731 0.25000 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
F1 F 0.70874 0.68798 0.96759 1.00000
F2 F 0.29126 0.31202 0.03241 1.00000
F3 F 0.68798 0.70874 0.53241 1.00000
F4 F 0.31202 0.29126 0.46759 1.00000
F5 F 0.21428 0.74543 0.62090 1.00000
F6 F 0.78572 0.25457 0.37910 1.00000
F7 F 0.74543 0.21428 0.87910 1.00000
F8 F 0.25457 0.78572 0.12090 1.00000
F9 F 0.09457 0.09457 0.75000 1.00000
F10 F 0.90543 0.90543 0.25000 1.00000
Get direct link