Cd2In4Hg9
Alexandria ALEXAlex-ID: agm005641769 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_110_spg15
Cd4In3 CdIn6 Hg
2023-06-15 20:37:45.754608
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641769).
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 agm005641769
data_agm005641769
_cell_length_a 6.23206
_cell_length_b 6.36856
_cell_length_c 22.74709
_cell_angle_alpha 85.24696
_cell_angle_beta 89.78633
_cell_angle_gamma 60.78116
_cell_volume 784.53220
_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 0.06160 0.08098 0.31370 1.00000
Cd2 Cd 0.13645 0.92158 0.18617 1.00000
Cd3 Cd 0.93840 0.91902 0.68630 1.00000
Cd4 Cd 0.86355 0.07842 0.81383 1.00000
In1 In 0.27254 0.27100 0.01607 1.00000
In2 In 0.45626 0.27029 0.51539 1.00000
In3 In 0.72746 0.72900 0.98393 1.00000
In4 In 0.17314 0.40804 0.15286 1.00000
In5 In 0.54374 0.72971 0.48461 1.00000
In6 In 0.58617 0.59179 0.34822 1.00000
In7 In 0.41383 0.40821 0.65178 1.00000
In8 In 0.82686 0.59196 0.84714 1.00000
Hg1 Hg 0.90578 0.43884 0.71587 1.00000
Hg2 Hg 0.34963 0.55936 0.78322 1.00000
Hg3 Hg 0.43485 0.00224 0.75055 1.00000
Hg4 Hg 0.09422 0.56116 0.28413 1.00000
Hg5 Hg 0.65037 0.44064 0.21678 1.00000
Hg6 Hg 0.56515 0.99776 0.24945 1.00000
Hg7 Hg 0.53846 0.12843 0.38040 1.00000
Hg8 Hg 0.01425 0.19447 0.44639 1.00000
Hg9 Hg 0.06286 0.67750 0.41655 1.00000
Hg10 Hg 0.66440 0.87042 0.11860 1.00000
Hg11 Hg 0.20340 0.80746 0.05359 1.00000
Hg12 Hg 0.73331 0.32635 0.08375 1.00000
Hg13 Hg 0.46154 0.87157 0.61960 1.00000
Hg14 Hg 0.98575 0.80553 0.55361 1.00000
Hg15 Hg 0.93714 0.32250 0.58345 1.00000
Hg16 Hg 0.33560 0.12958 0.88140 1.00000
Hg17 Hg 0.79660 0.19254 0.94641 1.00000
Hg18 Hg 0.26669 0.67365 0.91625 1.00000
