Ba3(SnGe)4
Alexandria ALEXAlex-ID: agm009872016 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
BaGe2 BaSn2 Ge
2024-03-26 01:16:57.883902
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009872016).
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 agm009872016
data_agm009872016
_cell_length_a 14.82647
_cell_length_b 14.82647
_cell_length_c 5.00614
_cell_angle_alpha 80.25196
_cell_angle_beta 80.25196
_cell_angle_gamma 18.55330
_cell_volume 344.96358
_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 0.35776 0.35776 0.64248 1.00000
Ba2 Ba 0.64224 0.64224 0.35752 1.00000
Ba3 Ba 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.90601 0.90601 0.09416 1.00000
Sn2 Sn 0.75061 0.75061 0.74943 1.00000
Sn3 Sn 0.24939 0.24939 0.25057 1.00000
Sn4 Sn 0.09399 0.09399 0.90584 1.00000
Ge1 Ge 0.45572 0.45572 0.04507 1.00000
Ge2 Ge 0.54428 0.54428 0.95493 1.00000
Ge3 Ge 0.19325 0.19325 0.80680 1.00000
Ge4 Ge 0.80675 0.80675 0.19320 1.00000
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