Ba2InSnPd6
Alexandria ALEXAlex-ID: agm004929263 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_393_spg12
BaSnPd2 InPd2 BaPd2
2022-08-01 10:49:32.745680
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004929263).
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 agm004929263
data_agm004929263
_cell_length_a 5.79282
_cell_length_b 8.96279
_cell_length_c 7.18858
_cell_angle_alpha 50.64743
_cell_angle_beta 66.23347
_cell_angle_gamma 89.99603
_cell_volume 246.31683
_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
Ba1 Ba 0.74782 0.29131 0.50423 1.00000
Ba2 Ba 0.25218 0.70869 0.49577 1.00000
In1 In 1.00000 1.00000 0.00000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.24931 0.09970 0.50068 1.00000
Pd2 Pd 0.77628 0.76779 0.95530 1.00000
Pd3 Pd 0.26845 0.76791 0.95483 1.00000
Pd4 Pd 0.73155 0.23208 0.04517 1.00000
Pd5 Pd 0.22372 0.23221 0.04470 1.00000
Pd6 Pd 0.75069 0.90030 0.49932 1.00000
Get direct link