Th3Al8Pd3
Alexandria ALEXAlex-ID: agm005688657 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
ThAl3Pd Th3Al7Pd2 ThAl3Pd2
2023-06-29 09:24:15.502881
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688657).
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 agm005688657
data_agm005688657
_cell_length_a 4.55121
_cell_length_b 8.41610
_cell_length_c 8.38457
_cell_angle_alpha 64.93559
_cell_angle_beta 74.25217
_cell_angle_gamma 74.31270
_cell_volume 275.51158
_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 0.28415 0.72344 0.70825 1.00000
Th2 Th 0.71585 0.27656 0.29175 1.00000
Th3 Th 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.13223 0.15895 0.57659 1.00000
Al2 Al 0.86777 0.84105 0.42341 1.00000
Al3 Al 0.85252 0.43449 0.86047 1.00000
Al4 Al 0.14748 0.56551 0.13953 1.00000
Al5 Al 0.50496 0.66612 0.32396 1.00000
Al6 Al 0.49504 0.33388 0.67604 1.00000
Al7 Al 0.34940 0.01457 0.28663 1.00000
Al8 Al 0.65060 0.98543 0.71337 1.00000
Pd1 Pd 0.00000 0.50000 0.50000 1.00000
Pd2 Pd 0.65086 0.70188 0.99640 1.00000
Pd3 Pd 0.34914 0.29812 0.00360 1.00000
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