Sm6AgHg5
Alexandria ALEXAlex-ID: agm064070554 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Sm4Ag3Hg SmHg
2024-11-09 09:41:44.882714
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064070554).
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 agm064070554
data_agm064070554
_cell_length_a 9.24999
_cell_length_b 9.24999
_cell_length_c 9.24999
_cell_angle_alpha 146.46983
_cell_angle_beta 131.66996
_cell_angle_gamma 60.10356
_cell_volume 323.56980
_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 0.58622 0.83452 0.75169 1.00000
Sm2 Sm 0.08283 0.83452 0.24831 1.00000
Sm3 Sm 0.75301 0.50000 0.25301 1.00000
Sm4 Sm 0.24699 0.50000 0.74699 1.00000
Sm5 Sm 0.91717 0.16548 0.75169 1.00000
Sm6 Sm 0.41378 0.16548 0.24831 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.16704 0.66704 0.50000 1.00000
Hg2 Hg 0.33319 0.33319 0.00000 1.00000
Hg3 Hg 0.50000 0.00000 0.50000 1.00000
Hg4 Hg 0.66681 0.66681 0.00000 1.00000
Hg5 Hg 0.83296 0.33296 0.50000 1.00000
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