Cd2In3Sn4
Alexandria ALEXAlex-ID: agm005663518 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_779_spg15
Cd4In3 CdIn6 Sn
2023-06-27 02:10:55.598460
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663518).
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 agm005663518
data_agm005663518
_cell_length_a 9.03166
_cell_length_b 7.07249
_cell_length_c 9.03166
_cell_angle_alpha 90.19111
_cell_angle_beta 120.33782
_cell_angle_gamma 89.80890
_cell_volume 497.90442
_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
Cd1 Cd 0.00442 0.29470 0.54904 1.00000
Cd2 Cd 0.54904 0.20530 0.00442 1.00000
Cd3 Cd 0.99558 0.70530 0.45096 1.00000
Cd4 Cd 0.45096 0.79470 0.99558 1.00000
In1 In 0.96929 0.03326 0.22079 1.00000
In2 In 0.22079 0.46674 0.96929 1.00000
In3 In 0.03071 0.96674 0.77921 1.00000
In4 In 0.77921 0.53326 0.03071 1.00000
In5 In 0.56347 0.25000 0.56347 1.00000
In6 In 0.43653 0.75000 0.43653 1.00000
Sn1 Sn 0.15454 0.42835 0.27843 1.00000
Sn2 Sn 0.27843 0.07165 0.15454 1.00000
Sn3 Sn 0.84546 0.57165 0.72157 1.00000
Sn4 Sn 0.72157 0.92835 0.84546 1.00000
Sn5 Sn 0.69840 0.00510 0.35877 1.00000
Sn6 Sn 0.35877 0.49490 0.69840 1.00000
Sn7 Sn 0.30160 0.99490 0.64123 1.00000
Sn8 Sn 0.64123 0.50510 0.30160 1.00000
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