VPtF6
Alexandria ALEXAlex-ID: agm071246477 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1361_spg212
VF4 PtF4 Pt
2024-08-06 19:15:15.674131
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071246477).
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 agm071246477
data_agm071246477
_cell_length_a 8.89629
_cell_length_b 8.89629
_cell_length_c 8.89629
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 704.08866
_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
V1 V 0.12500 0.12500 0.12500 1.00000
V2 V 0.37500 0.87500 0.62500 1.00000
V3 V 0.87500 0.62500 0.37500 1.00000
V4 V 0.62500 0.37500 0.87500 1.00000
Pt1 Pt 0.62500 0.62500 0.62500 1.00000
Pt2 Pt 0.87500 0.37500 0.12500 1.00000
Pt3 Pt 0.37500 0.12500 0.87500 1.00000
Pt4 Pt 0.12500 0.87500 0.37500 1.00000
F1 F 0.09834 0.64037 0.37884 1.00000
F2 F 0.40166 0.35963 0.87884 1.00000
F3 F 0.90166 0.14037 0.12116 1.00000
F4 F 0.59834 0.85963 0.62116 1.00000
F5 F 0.37884 0.09834 0.64037 1.00000
F6 F 0.87884 0.40166 0.35963 1.00000
F7 F 0.12116 0.90166 0.14037 1.00000
F8 F 0.62116 0.59834 0.85963 1.00000
F9 F 0.64037 0.37884 0.09834 1.00000
F10 F 0.35963 0.87884 0.40166 1.00000
F11 F 0.14037 0.12116 0.90166 1.00000
F12 F 0.85963 0.62116 0.59834 1.00000
F13 F 0.89037 0.84834 0.37116 1.00000
F14 F 0.60963 0.15166 0.87116 1.00000
F15 F 0.39037 0.65166 0.62884 1.00000
F16 F 0.10963 0.34834 0.12884 1.00000
F17 F 0.34834 0.12884 0.10963 1.00000
F18 F 0.65166 0.62884 0.39037 1.00000
F19 F 0.15166 0.87116 0.60963 1.00000
F20 F 0.84834 0.37116 0.89037 1.00000
F21 F 0.62884 0.39037 0.65166 1.00000
F22 F 0.12884 0.10963 0.34834 1.00000
F23 F 0.37116 0.89037 0.84834 1.00000
F24 F 0.87116 0.60963 0.15166 1.00000
