Mg5Sc6Hg
Alexandria ALEXAlex-ID: agm006110170 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
Mg3Sc MgSc Sc2Hg
2023-08-31 15:19:39.611233
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006110170).
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 agm006110170
data_agm006110170
_cell_length_a 5.06464
_cell_length_b 7.07782
_cell_length_c 8.03566
_cell_angle_alpha 90.00000
_cell_angle_beta 71.63114
_cell_angle_gamma 89.99997
_cell_volume 273.37421
_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
Sc1 Sc 0.83495 0.75027 0.33009 1.00000
Sc2 Sc 0.83495 0.24973 0.33009 1.00000
Sc3 Sc 0.50000 0.24743 1.00000 1.00000
Sc4 Sc 0.50000 0.75257 0.00000 1.00000
Sc5 Sc 0.16505 0.75027 0.66991 1.00000
Sc6 Sc 0.16505 0.24973 0.66991 1.00000
Mg1 Mg 0.66697 0.50000 0.66606 1.00000
Mg2 Mg 0.32840 1.00000 0.34320 1.00000
Mg3 Mg 0.00000 0.50000 0.00000 1.00000
Mg4 Mg 0.67160 0.00000 0.65680 1.00000
Mg5 Mg 0.33303 0.50000 0.33394 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
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