Sm3Mg7Hg4
Alexandria ALEXAlex-ID: agm005705222 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
SmMg3Hg2 SmMgHg Mg
2023-06-29 17:24:49.160051
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705222).
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 agm005705222
data_agm005705222
_cell_length_a 4.45888
_cell_length_b 9.03125
_cell_length_c 9.40837
_cell_angle_alpha 72.21793
_cell_angle_beta 76.29262
_cell_angle_gamma 75.70834
_cell_volume 344.20109
_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
Sm1 Sm 0.30804 0.18507 0.19884 1.00000
Sm2 Sm 0.69196 0.81493 0.80116 1.00000
Sm3 Sm 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.32214 0.83768 0.51805 1.00000
Mg2 Mg 0.48905 0.22127 0.80062 1.00000
Mg3 Mg 0.83656 0.39464 0.93225 1.00000
Mg4 Mg 0.67786 0.16232 0.48195 1.00000
Mg5 Mg 0.16344 0.60536 0.06775 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.51095 0.77873 0.19938 1.00000
Hg1 Hg 0.65487 0.44367 0.24660 1.00000
Hg2 Hg 0.34513 0.55633 0.75340 1.00000
Hg3 Hg 0.88097 0.90788 0.33017 1.00000
Hg4 Hg 0.11902 0.09212 0.66983 1.00000
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