PrTe2Au
Alexandria ALEXAlex-ID: agm005709282 · Space group: Pbcm (#57)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8377_spg14
Pr8Te15 TeAu Au
2023-07-13 17:12:11.334204
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709282).
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 agm005709282
data_agm005709282
_cell_length_a 6.81459
_cell_length_b 8.60040
_cell_length_c 7.99067
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.03436
_cell_volume 468.31891
_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
Pr1 Pr 0.82282 0.24995 0.95666 1.00000
Pr2 Pr 0.17718 0.25005 0.45666 1.00000
Pr3 Pr 0.17718 0.75005 0.04334 1.00000
Pr4 Pr 0.82282 0.74995 0.54334 1.00000
Te1 Te 0.08531 0.00003 0.75006 1.00000
Te2 Te 0.91469 0.49997 0.25006 1.00000
Te3 Te 0.91469 0.99997 0.24994 1.00000
Te4 Te 0.08531 0.50003 0.74994 1.00000
Te5 Te 0.36277 0.25040 0.07689 1.00000
Te6 Te 0.36277 0.75040 0.42311 1.00000
Te7 Te 0.63723 0.74960 0.92311 1.00000
Te8 Te 0.63723 0.24960 0.57689 1.00000
Au1 Au 0.50480 0.99967 0.75032 1.00000
Au2 Au 0.49520 0.00033 0.24968 1.00000
Au3 Au 0.49520 0.50033 0.25032 1.00000
Au4 Au 0.50480 0.49967 0.74968 1.00000
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