CaCoSn4
Alexandria ALEXAlex-ID: agm003756567 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1381_spg2
Ca3Co4Sn13 CaSn3
2022-04-18 08:22:50.646450
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003756567).
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 agm003756567
data_agm003756567
_cell_length_a 6.36544
_cell_length_b 7.31484
_cell_length_c 8.42557
_cell_angle_alpha 110.91009
_cell_angle_beta 126.33638
_cell_angle_gamma 81.15555
_cell_volume 294.34565
_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 0.97813 0.74322 0.97868 1.00000
Ca2 Ca 0.02187 0.25678 0.02132 1.00000
Co1 Co 0.50000 0.00000 0.50000 1.00000
Co2 Co 0.00000 0.50000 0.50000 1.00000
Sn1 Sn 0.46019 0.07574 0.81787 1.00000
Sn2 Sn 0.53923 0.48828 0.19104 1.00000
Sn3 Sn 0.53981 0.92426 0.18213 1.00000
Sn4 Sn 0.46077 0.51172 0.80896 1.00000
Sn5 Sn 0.94998 0.86247 0.63604 1.00000
Sn6 Sn 0.27284 0.67084 0.43748 1.00000
Sn7 Sn 0.05002 0.13753 0.36396 1.00000
Sn8 Sn 0.72716 0.32916 0.56252 1.00000
Get direct link