Ce5SmHg6
Alexandria ALEXAlex-ID: agm006118250 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
SmHg CeHg
2023-08-24 08:32:44.803659
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118250).
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 agm006118250
data_agm006118250
_cell_length_a 5.35541
_cell_length_b 7.80285
_cell_length_c 9.30066
_cell_angle_alpha 65.20113
_cell_angle_beta 73.27187
_cell_angle_gamma 90.00592
_cell_volume 334.60208
_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
Ce1 Ce 0.67519 0.17652 0.64708 1.00000
Ce2 Ce 0.34824 0.34686 0.30633 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Ce4 Ce 0.65176 0.65314 0.69367 1.00000
Ce5 Ce 0.32481 0.82348 0.35292 1.00000
Hg1 Hg 0.83447 0.59614 0.33398 1.00000
Hg2 Hg 0.83446 0.06979 0.33402 1.00000
Hg3 Hg 0.50001 0.77595 1.00000 1.00000
Hg4 Hg 0.49999 0.22405 0.00000 1.00000
Hg5 Hg 0.16554 0.93021 0.66598 1.00000
Hg6 Hg 0.16553 0.40386 0.66602 1.00000
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