Te2Pd8Se
Alexandria ALEXAlex-ID: agm005990004 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_280_spg71
Te3Pd13 Pd3Se2 Te7Pd20
2023-09-30 02:13:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990004).
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 agm005990004
data_agm005990004
_cell_length_a 4.23226
_cell_length_b 7.56440
_cell_length_c 7.41610
_cell_angle_alpha 120.66450
_cell_angle_beta 106.57936
_cell_angle_gamma 89.99999
_cell_volume 192.65958
_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
Te1 Te 0.18675 0.68675 0.37351 1.00000
Te2 Te 0.81325 0.31325 0.62649 1.00000
Pd1 Pd 0.65947 0.89035 0.31894 1.00000
Pd2 Pd 0.34053 0.57143 0.68106 1.00000
Pd3 Pd 0.14001 0.14001 0.28003 1.00000
Pd4 Pd 1.00000 0.30941 1.00000 1.00000
Pd5 Pd 0.85999 0.85999 0.71997 1.00000
Pd6 Pd 0.65947 0.42857 0.31894 1.00000
Pd7 Pd 0.34053 0.10964 0.68106 1.00000
Pd8 Pd 1.00000 0.69059 0.00000 1.00000
Se1 Se 0.50000 0.00000 0.00000 1.00000
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