Sn8Ge4Pd
Alexandria ALEXAlex-ID: agm098102916 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_543_spg12
Sn4Pd Sn Ge
2025-06-15 13:47:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098102916).
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 agm098102916
data_agm098102916
_cell_length_a 5.25092
_cell_length_b 8.51377
_cell_length_c 8.51604
_cell_angle_alpha 119.99400
_cell_angle_beta 90.00199
_cell_angle_gamma 89.99717
_cell_volume 329.72507
_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 0.28850 0.17494 0.35093 1.00000
Sn2 Sn 0.28963 0.17589 0.82404 1.00000
Sn3 Sn 0.29248 0.66685 0.33326 1.00000
Sn4 Sn 0.28832 0.64907 0.82492 1.00000
Sn5 Sn 0.71078 0.35151 0.17613 1.00000
Sn6 Sn 0.70769 0.33352 0.66659 1.00000
Sn7 Sn 0.71205 0.82465 0.17527 1.00000
Sn8 Sn 0.71097 0.82383 0.64871 1.00000
Ge1 Ge 0.99981 0.00015 0.99997 1.00000
Ge2 Ge 0.99948 0.99992 0.50056 1.00000
Ge3 Ge 0.99970 0.49943 0.00007 1.00000
Ge4 Ge 0.00090 0.49985 0.49990 1.00000
Pd1 Pd 0.49969 0.00039 0.99965 1.00000
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