CdIn5SnHg2
Alexandria ALEXAlex-ID: agm005154635 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_227_spg36
Cd4In3 CdIn6 Sn Hg
2023-01-21 08:53:06.593401
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154635).
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 agm005154635
data_agm005154635
_cell_length_a 4.61589
_cell_length_b 7.69889
_cell_length_c 13.90090
_cell_angle_alpha 89.99965
_cell_angle_beta 90.00000
_cell_angle_gamma 107.44419
_cell_volume 471.28021
_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 0.75272 0.50544 0.42472 1.00000
Cd2 Cd 0.24725 0.49450 0.92457 1.00000
In1 In 0.41158 0.82316 0.08882 1.00000
In2 In 0.75486 0.50973 0.76055 1.00000
In3 In 0.42057 0.84114 0.76405 1.00000
In4 In 0.25322 0.50645 0.59106 1.00000
In5 In 0.92269 0.84538 0.59104 1.00000
In6 In 0.58838 0.17676 0.58888 1.00000
In7 In 0.24515 0.49030 0.26063 1.00000
In8 In 0.57944 0.15887 0.26404 1.00000
In9 In 0.74679 0.49358 0.09089 1.00000
In10 In 0.07733 0.15466 0.09095 1.00000
Sn1 Sn 0.58825 0.17651 0.92146 1.00000
Sn2 Sn 0.41177 0.82354 0.42159 1.00000
Hg1 Hg 0.91181 0.82361 0.92641 1.00000
Hg2 Hg 0.08668 0.17336 0.75592 1.00000
Hg3 Hg 0.08821 0.17643 0.42646 1.00000
Hg4 Hg 0.91330 0.82660 0.25591 1.00000
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