PaTe2F
Alexandria ALEXAlex-ID: agm005708536 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7627_spg15
PaTe3 PaTe2 PaF4
2023-07-12 01:55:08.454852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708536).
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 agm005708536
data_agm005708536
_cell_length_a 4.56263
_cell_length_b 5.86821
_cell_length_c 9.24038
_cell_angle_alpha 84.31842
_cell_angle_beta 75.70673
_cell_angle_gamma 67.12279
_cell_volume 220.88783
_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
Pa1 Pa 0.87425 0.25000 0.75000 1.00000
Pa2 Pa 0.12575 0.75000 0.25000 1.00000
Te1 Te 0.05082 0.24910 0.40644 1.00000
Te2 Te 0.94918 0.75090 0.59356 1.00000
Te3 Te 0.29364 0.74910 0.90644 1.00000
Te4 Te 0.70636 0.25090 0.09356 1.00000
F1 F 0.62571 0.75000 0.25000 1.00000
F2 F 0.37429 0.25000 0.75000 1.00000
Get direct link