Sm6ErHg2
Alexandria ALEXAlex-ID: agm005741271 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_669_spg12
Sm2Hg Er2Hg Sm
2023-07-09 14:48:41.762492
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005741271).
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 agm005741271
data_agm005741271
_cell_length_a 3.75689
_cell_length_b 6.67673
_cell_length_c 11.85960
_cell_angle_alpha 75.63492
_cell_angle_beta 80.88653
_cell_angle_gamma 73.65967
_cell_volume 275.28306
_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 0.68662 0.50316 0.12359 1.00000
Sm2 Sm 0.31338 0.49684 0.87641 1.00000
Sm3 Sm 0.30985 0.79053 0.58978 1.00000
Sm4 Sm 0.97917 0.70445 0.33721 1.00000
Sm5 Sm 0.02083 0.29555 0.66279 1.00000
Sm6 Sm 0.69015 0.20947 0.41022 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.36249 0.08027 0.19474 1.00000
Hg2 Hg 0.63751 0.91973 0.80526 1.00000
Get direct link