ErPaTe4
Alexandria ALEXAlex-ID: agm005779074 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_181_spg10
PaTe3 Er2Te3 PaTe2
2023-07-31 13:12:41.840775
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779074).
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 agm005779074
data_agm005779074
_cell_length_a 4.37801
_cell_length_b 7.17380
_cell_length_c 7.41976
_cell_angle_alpha 89.78961
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 233.03059
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Pa1 Pa 0.50000 0.00000 0.50000 1.00000
Te1 Te 0.00000 0.75592 0.65979 1.00000
Te2 Te 0.50000 0.24078 0.82722 1.00000
Te3 Te 0.50000 0.75922 0.17278 1.00000
Te4 Te 0.00000 0.24408 0.34021 1.00000
