HgH7C2
Alexandria ALEXAlex-ID: agm006201534 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_818_spg5
H4C Hg C
2023-10-26 07:27:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201534).
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
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# CIF generated by HEAS from Alexandria entry agm006201534
data_agm006201534
_cell_length_a 7.13601
_cell_length_b 7.23928
_cell_length_c 6.05782
_cell_angle_alpha 136.13455
_cell_angle_beta 49.10207
_cell_angle_gamma 119.85718
_cell_volume 163.72059
_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
H1 H 0.22039 0.86644 0.00135 1.00000
H2 H 0.71879 0.85789 0.00791 1.00000
H3 H 0.47796 0.59869 0.97604 1.00000
H4 H 0.16230 0.17883 0.16835 1.00000
H5 H 0.53181 0.80777 0.35134 1.00000
H6 H 0.44706 0.15265 0.09191 1.00000
H7 H 0.75255 0.56775 0.89929 1.00000
C1 C 0.25474 0.08251 0.15105 1.00000
C2 C 0.62022 0.70821 0.05900 1.00000
Hg1 Hg 0.04658 0.23665 0.76193 1.00000
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