Th(SbPd3)2
Alexandria ALEXAlex-ID: agm005658163 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_653_spg12
Sb3Pd8 ThPd3 Sb8Pd11
2023-07-09 04:15:09.033176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658163).
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 agm005658163
data_agm005658163
_cell_length_a 5.49615
_cell_length_b 5.82721
_cell_length_c 5.82721
_cell_angle_alpha 73.14273
_cell_angle_beta 81.33101
_cell_angle_gamma 81.33102
_cell_volume 175.43604
_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 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.20130 0.60379 0.60379 1.00000
Sb2 Sb 0.79870 0.39621 0.39621 1.00000
Pd1 Pd 0.23445 0.08348 0.49132 1.00000
Pd2 Pd 0.76555 0.91652 0.50868 1.00000
Pd3 Pd 0.76555 0.50868 0.91652 1.00000
Pd4 Pd 0.50000 0.80506 0.19494 1.00000
Pd5 Pd 0.50000 0.19494 0.80506 1.00000
Pd6 Pd 0.23445 0.49132 0.08348 1.00000
Get direct link