Sm3DyHg
Alexandria ALEXAlex-ID: agm005776499 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6235_spg63
Sm2Hg Dy2Hg Sm
2023-07-05 20:59:00.273461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776499).
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 agm005776499
data_agm005776499
_cell_length_a 3.72145
_cell_length_b 5.56400
_cell_length_c 15.08310
_cell_angle_alpha 89.84806
_cell_angle_beta 97.08634
_cell_angle_gamma 90.00000
_cell_volume 309.92640
_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 0.04839 0.25625 0.09678 1.00000
Sm2 Sm 0.95161 0.74375 0.90322 1.00000
Sm3 Sm 0.33879 0.74853 0.67757 1.00000
Sm4 Sm 0.66121 0.25147 0.32243 1.00000
Sm5 Sm 0.12913 0.75269 0.25826 1.00000
Sm6 Sm 0.87087 0.24731 0.74174 1.00000
Dy1 Dy 0.73325 0.75040 0.46651 1.00000
Dy2 Dy 0.26675 0.24960 0.53349 1.00000
Hg1 Hg 0.54099 0.75887 0.08198 1.00000
Hg2 Hg 0.45901 0.24113 0.91802 1.00000
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