Fe3Te8Pd3
Alexandria ALEXAlex-ID: agm009707395 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_4_spg166
Te2Pd FeTe2 Fe
2024-03-25 11:34:07.053723
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009707395).
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 agm009707395
data_agm009707395
_cell_length_a 7.87702
_cell_length_b 7.87702
_cell_length_c 7.87702
_cell_angle_alpha 58.00121
_cell_angle_beta 58.00121
_cell_angle_gamma 58.00121
_cell_volume 329.75204
_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
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
Fe3 Fe 0.00000 0.50000 0.00000 1.00000
Te1 Te 0.23712 0.23712 0.23712 1.00000
Te2 Te 0.78692 0.24573 0.24573 1.00000
Te3 Te 0.24573 0.24573 0.78692 1.00000
Te4 Te 0.24573 0.78692 0.24573 1.00000
Te5 Te 0.76288 0.76288 0.76288 1.00000
Te6 Te 0.21308 0.75427 0.75427 1.00000
Te7 Te 0.75427 0.75427 0.21308 1.00000
Te8 Te 0.75427 0.21308 0.75427 1.00000
Pd1 Pd 0.62804 0.62804 0.62804 1.00000
Pd2 Pd 0.37196 0.37196 0.37196 1.00000
Pd3 Pd 0.00000 0.00000 0.00000 1.00000
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