TlZnPd3
Alexandria ALEXAlex-ID: agm003719829 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4927_spg8
TlZn2Pd5 Tl2Pd3 ZnPd
2022-04-18 04:52:17.609066
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003719829).
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
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# CIF generated by HEAS from Alexandria entry agm003719829
data_agm003719829
_cell_length_a 5.53794
_cell_length_b 5.55431
_cell_length_c 7.94351
_cell_angle_alpha 61.48412
_cell_angle_beta 61.24322
_cell_angle_gamma 61.40703
_cell_volume 178.12082
_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
Tl1 Tl 0.51675 0.64949 0.32012 1.00000
Tl2 Tl 0.62219 0.74222 0.78294 1.00000
Zn1 Zn 0.98140 0.11429 0.69847 1.00000
Zn2 Zn 0.97859 0.10121 0.07055 1.00000
Pd1 Pd 0.99952 0.13336 0.36971 1.00000
Pd2 Pd 0.51844 0.16885 0.00542 1.00000
Pd3 Pd 0.03670 0.64746 0.00063 1.00000
Pd4 Pd 0.25820 0.36150 0.71636 1.00000
Pd5 Pd 0.98444 0.61648 0.39912 1.00000
Pd6 Pd 0.48679 0.11484 0.39753 1.00000
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