In17GaHg11
Alexandria ALEXAlex-ID: agm005586293 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11C17_2_spg8
In Ga Hg
2023-06-09 22:56:26.155038
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005586293).
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 agm005586293
data_agm005586293
_cell_length_a 9.79100
_cell_length_b 9.78876
_cell_length_c 11.18551
_cell_angle_alpha 112.84254
_cell_angle_beta 112.94243
_cell_angle_gamma 106.93351
_cell_volume 776.29918
_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
In1 In 0.00043 0.00026 0.39493 1.00000
In2 In 0.66825 0.66766 0.29278 1.00000
In3 In 0.64529 0.64324 0.59502 1.00000
In4 In 0.37667 0.37710 0.63466 1.00000
In5 In 0.00754 0.00693 0.00449 1.00000
In6 In 0.26368 0.61398 0.03116 1.00000
In7 In 0.41856 0.78207 0.40576 1.00000
In8 In 0.02100 0.34151 0.63725 1.00000
In9 In 0.96729 0.33733 0.00206 1.00000
In10 In 0.24866 0.66561 0.65518 1.00000
In11 In 0.62725 0.00321 0.31245 1.00000
In12 In 0.00435 0.62820 0.31176 1.00000
In13 In 0.66863 0.25357 0.65775 1.00000
In14 In 0.34119 0.97196 0.00243 1.00000
In15 In 0.34399 0.02230 0.63779 1.00000
In16 In 0.78130 0.41587 0.40257 1.00000
In17 In 0.61719 0.26735 0.02911 1.00000
Ga1 Ga 0.34408 0.34527 0.14805 1.00000
Hg1 Hg 0.27452 0.27423 0.85123 1.00000
Hg2 Hg 0.54321 0.73602 0.96937 1.00000
Hg3 Hg 0.21634 0.42870 0.35452 1.00000
Hg4 Hg 0.84425 0.03436 0.66083 1.00000
Hg5 Hg 0.62765 0.94547 0.81372 1.00000
Hg6 Hg 0.85557 0.13604 0.19840 1.00000
Hg7 Hg 0.13890 0.85719 0.20006 1.00000
Hg8 Hg 0.95222 0.63116 0.81445 1.00000
Hg9 Hg 0.03391 0.84497 0.65813 1.00000
Hg10 Hg 0.42935 0.21690 0.35461 1.00000
Hg11 Hg 0.73873 0.55156 0.96949 1.00000
