Hg3C2
Alexandria ALEXAlex-ID: agm005507568 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_734_spg70
C Hg
2023-03-19 17:07:19.174357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507568).
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 agm005507568
data_agm005507568
_cell_length_a 7.26397
_cell_length_b 6.62618
_cell_length_c 6.62338
_cell_angle_alpha 66.49296
_cell_angle_beta 56.77199
_cell_angle_gamma 56.73504
_cell_volume 220.76492
_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
Hg1 Hg 0.12500 0.12500 0.62500 1.00000
Hg2 Hg 0.62500 0.12500 0.12500 1.00000
Hg3 Hg 0.12500 0.62500 0.12500 1.00000
Hg4 Hg 0.12500 0.12500 0.12500 1.00000
Hg5 Hg 0.50000 0.50000 0.50000 1.00000
Hg6 Hg 0.75000 0.75000 0.75000 1.00000
C1 C 0.49841 0.00159 0.00159 1.00000
C2 C 0.00159 0.49841 0.49841 1.00000
C3 C 0.75159 0.24841 0.24841 1.00000
C4 C 0.24841 0.75159 0.75159 1.00000
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