ThSbPd5
Alexandria ALEXAlex-ID: agm005777519 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_91_spg62
Sb3Pd8 ThPd3 Sb8Pd11
2023-07-14 22:03:15.344675
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777519).
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 agm005777519
data_agm005777519
_cell_length_a 5.57287
_cell_length_b 8.73520
_cell_length_c 10.80882
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 526.17509
_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 0.25000 0.25023 0.95346 1.00000
Th2 Th 0.75000 0.24977 0.45346 1.00000
Th3 Th 0.25000 0.75023 0.54654 1.00000
Th4 Th 0.75000 0.74977 0.04654 1.00000
Sb1 Sb 0.25000 0.83484 0.84402 1.00000
Sb2 Sb 0.75000 0.66516 0.34402 1.00000
Sb3 Sb 0.25000 0.33484 0.65598 1.00000
Sb4 Sb 0.75000 0.16516 0.15598 1.00000
Pd1 Pd 0.25000 0.59233 0.02106 1.00000
Pd2 Pd 0.75000 0.90767 0.52106 1.00000
Pd3 Pd 0.25000 0.09233 0.47894 1.00000
Pd4 Pd 0.75000 0.40767 0.97894 1.00000
Pd5 Pd 0.75000 0.31591 0.71808 1.00000
Pd6 Pd 0.25000 0.18409 0.21808 1.00000
Pd7 Pd 0.75000 0.81591 0.78192 1.00000
Pd8 Pd 0.25000 0.68409 0.28192 1.00000
Pd9 Pd 0.25000 0.92203 0.07400 1.00000
Pd10 Pd 0.75000 0.57797 0.57400 1.00000
Pd11 Pd 0.25000 0.42203 0.42600 1.00000
Pd12 Pd 0.75000 0.07797 0.92600 1.00000
Pd13 Pd 0.99134 0.44222 0.20368 1.00000
Pd14 Pd 0.00866 0.05778 0.70368 1.00000
Pd15 Pd 0.50866 0.94222 0.29632 1.00000
Pd16 Pd 0.49134 0.55778 0.79632 1.00000
Pd17 Pd 0.00866 0.55778 0.79632 1.00000
Pd18 Pd 0.99134 0.94222 0.29632 1.00000
Pd19 Pd 0.49134 0.05778 0.70368 1.00000
Pd20 Pd 0.50866 0.44222 0.20368 1.00000
