Ce2Sb7Pd12
Alexandria ALEXAlex-ID: agm005674740 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_16_spg147
Ce3Sb5Pd6 Sb3Pd8 Sb8Pd11
2023-06-21 08:52:54.502747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674740).
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 agm005674740
data_agm005674740
_cell_length_a 4.35389
_cell_length_b 10.54393
_cell_length_c 10.54398
_cell_angle_alpha 120.00007
_cell_angle_beta 90.00008
_cell_angle_gamma 89.99999
_cell_volume 419.19346
_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
Ce1 Ce 0.23628 0.33333 0.66667 1.00000
Ce2 Ce 0.76372 0.66667 0.33333 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
Sb2 Sb 0.27102 0.88505 0.29169 1.00000
Sb3 Sb 0.27102 0.40664 0.11495 1.00000
Sb4 Sb 0.27102 0.70831 0.59336 1.00000
Sb5 Sb 0.72898 0.11495 0.70831 1.00000
Sb6 Sb 0.72898 0.59336 0.88505 1.00000
Sb7 Sb 0.72898 0.29169 0.40664 1.00000
Pd1 Pd 0.23928 0.61996 0.05506 1.00000
Pd2 Pd 0.23928 0.43511 0.38004 1.00000
Pd3 Pd 0.23928 0.94494 0.56489 1.00000
Pd4 Pd 0.76072 0.38004 0.94494 1.00000
Pd5 Pd 0.76072 0.56489 0.61996 1.00000
Pd6 Pd 0.76072 0.05506 0.43511 1.00000
Pd7 Pd 0.21507 0.11925 0.25672 1.00000
Pd8 Pd 0.21508 0.13746 0.88075 1.00000
Pd9 Pd 0.21507 0.74328 0.86254 1.00000
Pd10 Pd 0.78493 0.88075 0.74328 1.00000
Pd11 Pd 0.78492 0.86254 0.11925 1.00000
Pd12 Pd 0.78493 0.25672 0.13746 1.00000
