Cd2In4GaHg2
Alexandria ALEXAlex-ID: agm004559040 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_235_spg2
Cd4In3 CdIn6 Ga Hg
2022-06-19 16:07:45.885747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004559040).
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 agm004559040
data_agm004559040
_cell_length_a 6.57205
_cell_length_b 7.47645
_cell_length_c 6.40530
_cell_angle_alpha 124.17314
_cell_angle_beta 114.68452
_cell_angle_gamma 84.75567
_cell_volume 232.26403
_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 0.17866 0.83224 0.56588 1.00000
Cd2 Cd 0.82134 0.16776 0.43412 1.00000
In1 In 0.61543 0.69012 0.85252 1.00000
In2 In 0.63013 0.79858 0.42998 1.00000
In3 In 0.38457 0.30988 0.14748 1.00000
In4 In 0.36987 0.20142 0.57002 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.85735 0.39985 0.10974 1.00000
Hg2 Hg 0.14265 0.60015 0.89026 1.00000
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