Ca5Sn5Au2
Alexandria ALEXAlex-ID: agm005651453 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Ca3Sn3Au CaSnAu
2023-06-18 21:40:15.531757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651453).
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 agm005651453
data_agm005651453
_cell_length_a 4.81135
_cell_length_b 8.55036
_cell_length_c 8.72125
_cell_angle_alpha 73.66296
_cell_angle_beta 73.98790
_cell_angle_gamma 73.65899
_cell_volume 322.76186
_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
Ca1 Ca 0.50000 0.50000 0.50000 1.00000
Ca2 Ca 0.37108 0.32760 0.93024 1.00000
Ca3 Ca 0.33223 0.99714 0.33840 1.00000
Ca4 Ca 0.66777 0.00286 0.66160 1.00000
Ca5 Ca 0.62892 0.67240 0.06976 1.00000
Sn1 Sn 0.96168 0.74205 0.33458 1.00000
Sn2 Sn 0.24352 0.75025 0.76270 1.00000
Sn3 Sn 0.75648 0.24975 0.23730 1.00000
Sn4 Sn 0.03832 0.25795 0.66542 1.00000
Sn5 Sn 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.84404 0.58073 0.73118 1.00000
Au2 Au 0.15596 0.41927 0.26882 1.00000
Get direct link