Sm4CoHg2
Alexandria ALEXAlex-ID: agm003444563 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_690_spg12
Sm2Co2Hg Sm4CoHg SmHg
2022-02-16 23:56:17.880172
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003444563).
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 agm003444563
data_agm003444563
_cell_length_a 3.95478
_cell_length_b 6.56116
_cell_length_c 8.64708
_cell_angle_alpha 111.95994
_cell_angle_beta 103.21921
_cell_angle_gamma 90.00000
_cell_volume 201.66962
_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 0.90335 0.24648 0.80671 1.00000
Sm2 Sm 0.09665 0.75352 0.19329 1.00000
Sm3 Sm 0.59766 0.26134 0.19532 1.00000
Sm4 Sm 0.40234 0.73866 0.80468 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.74768 0.75964 0.49535 1.00000
Hg2 Hg 0.25232 0.24036 0.50465 1.00000
Get direct link