Cd4In8Si
Alexandria ALEXAlex-ID: agm098008145 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_213_spg2
Cd4In3 CdIn6 Si
2025-06-22 13:55:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098008145).
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 agm098008145
data_agm098008145
_cell_length_a 5.46482
_cell_length_b 7.53988
_cell_length_c 9.03631
_cell_angle_alpha 70.45398
_cell_angle_beta 103.06015
_cell_angle_gamma 96.73657
_cell_volume 341.44759
_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 0.94920 0.92428 0.92248 1.00000
Cd2 Cd 0.82663 0.52623 0.94098 1.00000
Cd3 Cd 0.15017 0.50192 0.53956 1.00000
Cd4 Cd 0.95724 0.11627 0.55867 1.00000
In1 In 0.82110 0.13462 0.20260 1.00000
In2 In 0.70761 0.61724 0.22283 1.00000
In3 In 0.72576 0.73133 0.56051 1.00000
In4 In 0.62787 0.26995 0.71820 1.00000
In5 In 0.26496 0.85538 0.27676 1.00000
In6 In 0.39345 0.24816 0.36101 1.00000
In7 In 0.27472 0.31857 0.95691 1.00000
In8 In 0.32458 0.79155 0.74651 1.00000
Si1 Si 0.47672 0.96450 0.99298 1.00000
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