CaMg5Hg6
Alexandria ALEXAlex-ID: agm006113812 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_51_spg65
CaMgHg2 MgHg
2023-08-31 10:45:52.979208
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113812).
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 agm006113812
data_agm006113812
_cell_length_a 4.95165
_cell_length_b 7.44531
_cell_length_c 7.68678
_cell_angle_alpha 90.00027
_cell_angle_beta 108.18448
_cell_angle_gamma 89.99982
_cell_volume 269.23222
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.66583 0.50000 0.33154 1.00000
Mg2 Mg 0.33197 0.00000 0.65961 1.00000
Mg3 Mg 0.00000 0.50000 0.00000 1.00000
Mg4 Mg 0.66803 1.00000 0.34039 1.00000
Mg5 Mg 0.33417 0.50000 0.66846 1.00000
Hg1 Hg 0.82992 0.74248 0.65920 1.00000
Hg2 Hg 0.82992 0.25753 0.65920 1.00000
Hg3 Hg 0.50000 0.26182 0.00000 1.00000
Hg4 Hg 0.50000 0.73818 1.00000 1.00000
Hg5 Hg 0.17008 0.74247 0.34080 1.00000
Hg6 Hg 0.17008 0.25752 0.34080 1.00000
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