Fe(Te3Pd)2
Alexandria ALEXAlex-ID: agm005690147 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_288_spg12
Te2Pd FeTe2
2023-07-07 04:19:09.997575
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690147).
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 agm005690147
data_agm005690147
_cell_length_a 3.97124
_cell_length_b 6.71799
_cell_length_c 14.99707
_cell_angle_alpha 140.97614
_cell_angle_beta 90.00636
_cell_angle_gamma 107.18594
_cell_volume 222.44254
_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 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.93373 0.86751 0.62146 1.00000
Te2 Te 0.60295 0.20585 0.96727 1.00000
Te3 Te 0.39705 0.79415 0.03273 1.00000
Te4 Te 0.71326 0.42648 0.68363 1.00000
Te5 Te 0.28674 0.57352 0.31637 1.00000
Te6 Te 0.06627 0.13249 0.37854 1.00000
Pd1 Pd 0.66438 0.32880 0.82995 1.00000
Pd2 Pd 0.33562 0.67120 0.17005 1.00000
Get direct link