SnBi2Te6Pd
Alexandria ALEXAlex-ID: agm071291468 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2690_spg212
Te2Pd Sn(BiTe2)2
2024-08-07 07:00:11.181546
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071291468).
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 agm071291468
data_agm071291468
_cell_length_a 11.71056
_cell_length_b 11.71056
_cell_length_c 11.71056
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1605.95483
_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
Sn1 Sn 0.62500 0.62500 0.62500 1.00000
Sn2 Sn 0.87500 0.37500 0.12500 1.00000
Sn3 Sn 0.37500 0.12500 0.87500 1.00000
Sn4 Sn 0.12500 0.87500 0.37500 1.00000
Bi1 Bi 0.98466 0.98466 0.98466 1.00000
Bi2 Bi 0.51534 0.01534 0.48466 1.00000
Bi3 Bi 0.01534 0.48466 0.51534 1.00000
Bi4 Bi 0.48466 0.51534 0.01534 1.00000
Bi5 Bi 0.23466 0.73466 0.76534 1.00000
Bi6 Bi 0.26534 0.26534 0.26534 1.00000
Bi7 Bi 0.73466 0.76534 0.23466 1.00000
Bi8 Bi 0.76534 0.23466 0.73466 1.00000
Te1 Te 0.98867 0.74001 0.17870 1.00000
Te2 Te 0.51133 0.25999 0.67870 1.00000
Te3 Te 0.01133 0.24001 0.32130 1.00000
Te4 Te 0.48867 0.75999 0.82130 1.00000
Te5 Te 0.17870 0.98867 0.74001 1.00000
Te6 Te 0.67870 0.51133 0.25999 1.00000
Te7 Te 0.32130 0.01133 0.24001 1.00000
Te8 Te 0.82130 0.48867 0.75999 1.00000
Te9 Te 0.74001 0.17870 0.98867 1.00000
Te10 Te 0.25999 0.67870 0.51133 1.00000
Te11 Te 0.24001 0.32130 0.01133 1.00000
Te12 Te 0.75999 0.82130 0.48867 1.00000
Te13 Te 0.99001 0.73867 0.57130 1.00000
Te14 Te 0.50999 0.26133 0.07130 1.00000
Te15 Te 0.49001 0.76133 0.42870 1.00000
Te16 Te 0.00999 0.23867 0.92870 1.00000
Te17 Te 0.23867 0.92870 0.00999 1.00000
Te18 Te 0.76133 0.42870 0.49001 1.00000
Te19 Te 0.26133 0.07130 0.50999 1.00000
Te20 Te 0.73867 0.57130 0.99001 1.00000
Te21 Te 0.42870 0.49001 0.76133 1.00000
Te22 Te 0.92870 0.00999 0.23867 1.00000
Te23 Te 0.57130 0.99001 0.73867 1.00000
Te24 Te 0.07130 0.50999 0.26133 1.00000
Pd1 Pd 0.12500 0.12500 0.12500 1.00000
Pd2 Pd 0.37500 0.87500 0.62500 1.00000
Pd3 Pd 0.87500 0.62500 0.37500 1.00000
Pd4 Pd 0.62500 0.37500 0.87500 1.00000
