Ca3(SnAu)2
Alexandria ALEXAlex-ID: agm009562003 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_33_spg71
Ca3Sn3Au Ca3SnAu2 CaSnAu
2024-03-23 17:07:52.823613
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009562003).
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 agm009562003
data_agm009562003
_cell_length_a 10.44761
_cell_length_b 10.44761
_cell_length_c 10.44761
_cell_angle_alpha 158.79027
_cell_angle_beta 153.12761
_cell_angle_gamma 34.48466
_cell_volume 186.29762
_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 0.00000 0.50000 0.50000 1.00000
Ca2 Ca 0.31140 0.31140 0.00000 1.00000
Ca3 Ca 0.68860 0.68860 0.00000 1.00000
Sn1 Sn 0.85705 0.85705 0.00000 1.00000
Sn2 Sn 0.14295 0.14295 0.00000 1.00000
Au1 Au 0.43096 0.93096 0.50000 1.00000
Au2 Au 0.56904 0.06904 0.50000 1.00000
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