Pr5TeAs4
Alexandria ALEXAlex-ID: agm059709554 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_27_spg166
Pr4TeAs3 PrAs
2024-12-10 12:27:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059709554).
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
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# CIF generated by HEAS from Alexandria entry agm059709554
data_agm059709554
_cell_length_a 18.06967
_cell_length_b 18.06967
_cell_length_c 18.06967
_cell_angle_alpha 13.80238
_cell_angle_beta 13.80238
_cell_angle_gamma 13.80238
_cell_volume 292.22773
_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 0.70549 0.70549 0.70549 1.00000
Pr2 Pr 0.10254 0.10254 0.10254 1.00000
Pr3 Pr 0.50000 0.50000 0.50000 1.00000
Pr4 Pr 0.89746 0.89746 0.89746 1.00000
Pr5 Pr 0.29451 0.29451 0.29451 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
As1 As 0.40220 0.40220 0.40220 1.00000
As2 As 0.80080 0.80080 0.80080 1.00000
As3 As 0.19920 0.19920 0.19920 1.00000
As4 As 0.59780 0.59780 0.59780 1.00000
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