BaInSn2Pd
Alexandria ALEXAlex-ID: agm090134029 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1820_spg44
BaInSn2Pd
2025-03-23 06:36:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090134029).
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 agm090134029
data_agm090134029
_cell_length_a 6.74421
_cell_length_b 6.74421
_cell_length_c 6.74421
_cell_angle_alpha 137.89156
_cell_angle_beta 136.75216
_cell_angle_gamma 61.94793
_cell_volume 139.27959
_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 0.01045 0.51045 0.50000 1.00000
In1 In 0.76652 0.76652 0.00000 1.00000
Sn1 Sn 0.59811 0.09811 0.50000 1.00000
Sn2 Sn 0.26058 0.26058 0.00000 1.00000
Pd1 Pd 0.36698 0.86698 0.50000 1.00000
