Th3(GaPd2)2
Alexandria ALEXAlex-ID: agm005610375 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_33_spg2
ThGaPd Th3Pd5 ThPd3
2023-06-27 00:58:06.499837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005610375).
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 agm005610375
data_agm005610375
_cell_length_a 4.49740
_cell_length_b 5.88995
_cell_length_c 8.36847
_cell_angle_alpha 73.13453
_cell_angle_beta 74.41240
_cell_angle_gamma 67.55563
_cell_volume 192.92083
_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
Th1 Th 0.35529 0.60281 0.68661 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
Th3 Th 0.64471 0.39719 0.31339 1.00000
Ga1 Ga 0.34979 0.98022 0.32021 1.00000
Ga2 Ga 0.65021 0.01978 0.67979 1.00000
Pd1 Pd 0.28660 0.35976 0.06704 1.00000
Pd2 Pd 0.71340 0.64024 0.93296 1.00000
Pd3 Pd 0.08092 0.24227 0.59589 1.00000
Pd4 Pd 0.91908 0.75773 0.40411 1.00000
Get direct link