La3ErPu3Te8
Alexandria ALEXAlex-ID: agm049202016 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_3_spg12
Er3Te4 La2Te3 LaPuTe2 LaPu2Te3
2025-01-22 02:21:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm049202016).
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 agm049202016
data_agm049202016
_cell_length_a 9.02519
_cell_length_b 9.02519
_cell_length_c 9.02519
_cell_angle_alpha 59.42440
_cell_angle_beta 59.42440
_cell_angle_gamma 59.42440
_cell_volume 513.01314
_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
La1 La 0.50000 0.50000 0.00000 1.00000
La2 La 0.00000 0.50000 0.50000 1.00000
La3 La 0.50000 0.00000 0.50000 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Pu1 Pu 0.00000 0.00000 0.50000 1.00000
Pu2 Pu 0.50000 0.00000 0.00000 1.00000
Pu3 Pu 0.00000 0.50000 0.00000 1.00000
Te1 Te 0.75368 0.75368 0.75368 1.00000
Te2 Te 0.24632 0.24632 0.24632 1.00000
Te3 Te 0.25413 0.25413 0.75171 1.00000
Te4 Te 0.74587 0.74587 0.24829 1.00000
Te5 Te 0.75171 0.25413 0.25413 1.00000
Te6 Te 0.24829 0.74587 0.74587 1.00000
Te7 Te 0.25413 0.75171 0.25413 1.00000
Te8 Te 0.74587 0.24829 0.74587 1.00000
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