SmCd4Hg7
Alexandria ALEXAlex-ID: agm006088043 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_239_spg2
SmCd11 SmCdHg2 Hg
2023-08-13 05:02:21.401437
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006088043).
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 agm006088043
data_agm006088043
_cell_length_a 6.50921
_cell_length_b 5.95904
_cell_length_c 7.94937
_cell_angle_alpha 86.54721
_cell_angle_beta 77.81379
_cell_angle_gamma 99.48089
_cell_volume 295.83402
_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 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.57475 0.67747 0.34022 1.00000
Cd2 Cd 0.42525 0.32253 0.65978 1.00000
Cd3 Cd 0.74731 0.77036 0.68641 1.00000
Cd4 Cd 0.25269 0.22964 0.31359 1.00000
Hg1 Hg 0.75191 0.48009 0.01251 1.00000
Hg2 Hg 0.24809 0.51991 0.98749 1.00000
Hg3 Hg 0.93456 0.29085 0.66142 1.00000
Hg4 Hg 0.06544 0.70915 0.33858 1.00000
Hg5 Hg 0.26159 0.82283 0.65063 1.00000
Hg6 Hg 0.50000 0.00000 0.00000 1.00000
Hg7 Hg 0.73841 0.17717 0.34937 1.00000
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