Al2CoHgH8
Alexandria ALEXAlex-ID: agm007600796 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_314_spg2
AlH3 AlH9 AlCo HgH4
2024-02-09 07:42:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007600796).
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 agm007600796
data_agm007600796
_cell_length_a 3.96474
_cell_length_b 4.42519
_cell_length_c 8.61434
_cell_angle_alpha 106.82114
_cell_angle_beta 86.76674
_cell_angle_gamma 81.24514
_cell_volume 142.17579
_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
Al1 Al 0.47614 0.19463 0.88328 1.00000
Al2 Al 0.52386 0.80537 0.11672 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
H1 H 0.56099 0.23442 0.70854 1.00000
H2 H 0.76327 0.79181 0.89977 1.00000
H3 H 0.43901 0.76558 0.29146 1.00000
H4 H 0.13977 0.96133 0.82386 1.00000
H5 H 0.86023 0.03867 0.17614 1.00000
H6 H 0.23556 0.64575 0.97424 1.00000
H7 H 0.76444 0.35425 0.02576 1.00000
H8 H 0.23673 0.20819 0.10023 1.00000
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