Tl3AsPd3
Alexandria ALEXAlex-ID: agm003545441 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_302_spg12
TlAsPd2 TlAsPd5 Tl
2022-03-23 08:37:48.847373
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545441).
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 agm003545441
data_agm003545441
_cell_length_a 7.03732
_cell_length_b 7.03732
_cell_length_c 6.79253
_cell_angle_alpha 90.92834
_cell_angle_beta 90.92834
_cell_angle_gamma 107.37384
_cell_volume 320.92461
_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 0.60984 0.60984 0.30240 1.00000
Tl2 Tl 0.14015 0.85985 0.50000 1.00000
Tl3 Tl 0.85985 0.14015 0.50000 1.00000
Tl4 Tl 0.25404 0.74596 0.00000 1.00000
Tl5 Tl 0.74596 0.25404 0.00000 1.00000
Tl6 Tl 0.39016 0.39016 0.69760 1.00000
As1 As 0.79220 0.79220 0.81825 1.00000
As2 As 0.20780 0.20780 0.18175 1.00000
Pd1 Pd 0.90626 0.90626 0.16100 1.00000
Pd2 Pd 0.81532 0.49117 0.64101 1.00000
Pd3 Pd 0.49117 0.81532 0.64101 1.00000
Pd4 Pd 0.18468 0.50883 0.35899 1.00000
Pd5 Pd 0.50883 0.18468 0.35899 1.00000
Pd6 Pd 0.09374 0.09374 0.83900 1.00000
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