Pr3ErTl3Te8
Alexandria ALEXAlex-ID: agm004699298 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_3_spg12
Pr2Te5 PrTlTe2 ErTlTe2 Pr8Te15
2023-02-24 11:02:15.443276
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004699298).
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 agm004699298
data_agm004699298
_cell_length_a 9.04676
_cell_length_b 9.05377
_cell_length_c 9.68849
_cell_angle_alpha 117.86448
_cell_angle_beta 90.01274
_cell_angle_gamma 119.98432
_cell_volume 578.63753
_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 0.50000 0.00000 0.50000 1.00000
Pr2 Pr 0.50000 0.50000 0.50000 1.00000
Pr3 Pr 0.00000 0.50000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.00000 0.50000 0.00000 1.00000
Tl3 Tl 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.25808 0.51622 0.27431 1.00000
Te2 Te 0.74192 0.48378 0.72569 1.00000
Te3 Te 0.76610 0.53222 0.28200 1.00000
Te4 Te 0.23390 0.46778 0.71800 1.00000
Te5 Te 0.76612 0.01588 0.28197 1.00000
Te6 Te 0.23388 0.98412 0.71803 1.00000
Te7 Te 0.24977 0.01591 0.28198 1.00000
Te8 Te 0.75023 0.98409 0.71802 1.00000
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