Tb3PdSe2
Alexandria ALEXAlex-ID: agm005756842 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Tb6PdSe5 TbPd
2023-08-24 20:49:34.498171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756842).
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 agm005756842
data_agm005756842
_cell_length_a 7.17277
_cell_length_b 7.17277
_cell_length_c 12.87795
_cell_angle_alpha 100.94578
_cell_angle_beta 100.94578
_cell_angle_gamma 108.55296
_cell_volume 593.97722
_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
Tb1 Tb 0.16302 0.67369 0.82953 1.00000
Tb2 Tb 0.66651 0.15583 0.82953 1.00000
Tb3 Tb 0.08698 0.07631 0.67047 1.00000
Tb4 Tb 0.58349 0.59417 0.67047 1.00000
Tb5 Tb 0.00721 0.50721 0.50000 1.00000
Tb6 Tb 0.49279 0.99279 0.50000 1.00000
Tb7 Tb 0.40583 0.41651 0.32953 1.00000
Tb8 Tb 0.92369 0.91302 0.32953 1.00000
Tb9 Tb 0.84417 0.33349 0.17047 1.00000
Tb10 Tb 0.32631 0.83698 0.17047 1.00000
Tb11 Tb 0.24279 0.24279 0.00000 1.00000
Tb12 Tb 0.75721 0.75721 1.00000 1.00000
Pd1 Pd 0.91659 0.91659 0.83319 1.00000
Pd2 Pd 0.33341 0.83341 0.66681 1.00000
Pd3 Pd 0.16659 0.66659 0.33319 1.00000
Pd4 Pd 0.08341 0.08341 0.16681 1.00000
Se1 Se 0.99861 0.49861 0.99723 1.00000
Se2 Se 0.41904 0.41904 0.83808 1.00000
Se3 Se 0.83096 0.33096 0.66192 1.00000
Se4 Se 0.25139 0.25139 0.50277 1.00000
Se5 Se 0.74861 0.74861 0.49723 1.00000
Se6 Se 0.66904 0.16904 0.33808 1.00000
Se7 Se 0.58096 0.58096 0.16192 1.00000
Se8 Se 0.50139 0.00139 0.00277 1.00000
