PaAg5Te6
Alexandria ALEXAlex-ID: agm003676884 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_49_spg12
PaAg7Te6 PaTe3 Te
2022-04-09 19:12:08.491736
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676884).
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 agm003676884
data_agm003676884
_cell_length_a 7.24953
_cell_length_b 7.70563
_cell_length_c 7.25355
_cell_angle_alpha 57.91592
_cell_angle_beta 80.50057
_cell_angle_gamma 71.89797
_cell_volume 326.32052
_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 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.50000 0.12632 0.74736 1.00000
Ag2 Ag 0.00000 0.31466 0.37068 1.00000
Ag3 Ag 0.50000 0.50000 0.00000 1.00000
Ag4 Ag 0.00000 0.68534 0.62932 1.00000
Ag5 Ag 0.50000 0.87368 0.25264 1.00000
Te1 Te 0.72746 0.06687 0.33263 1.00000
Te2 Te 0.27254 0.60050 0.33263 1.00000
Te3 Te 0.20896 0.29448 1.00000 1.00000
Te4 Te 0.79104 0.70552 0.00000 1.00000
Te5 Te 0.72746 0.39950 0.66737 1.00000
Te6 Te 0.27254 0.93313 0.66737 1.00000
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