Te6Pd2Rh
Alexandria ALEXAlex-ID: agm005690102 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2169_spg12
Te6Pd2Rh
2023-07-09 07:38:42.123619
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690102).
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 agm005690102
data_agm005690102
_cell_length_a 4.13683
_cell_length_b 6.28446
_cell_length_c 12.57583
_cell_angle_alpha 121.29277
_cell_angle_beta 89.99999
_cell_angle_gamma 109.21608
_cell_volume 257.82592
_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 0.99235 0.98470 0.70760 1.00000
Te2 Te 0.65980 0.31959 0.04464 1.00000
Te3 Te 0.34020 0.68041 0.95536 1.00000
Te4 Te 0.66838 0.33677 0.61780 1.00000
Te5 Te 0.33162 0.66323 0.38220 1.00000
Te6 Te 0.00765 0.01530 0.29240 1.00000
Pd1 Pd 0.66625 0.33250 0.83203 1.00000
Pd2 Pd 0.33375 0.66750 0.16797 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
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