ScHgRu2
Alexandria ALEXAlex-ID: agm002017117 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_5863_spg8
ScRu2 Hg
2021-11-13 05:11:00.339605
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002017117).
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
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# CIF generated by HEAS from Alexandria entry agm002017117
data_agm002017117
_cell_length_a 5.06981
_cell_length_b 5.06757
_cell_length_c 7.19496
_cell_angle_alpha 107.00362
_cell_angle_beta 94.19602
_cell_angle_gamma 118.88718
_cell_volume 149.61263
_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
Sc1 Sc 0.70663 0.67585 0.78669 1.00000
Sc2 Sc 0.12019 0.46808 0.99190 1.00000
Hg1 Hg 0.30510 0.73884 0.44638 1.00000
Hg2 Hg 0.01283 0.15404 0.57009 1.00000
Ru1 Ru 0.68942 0.08505 0.17707 1.00000
Ru2 Ru 0.18766 0.08142 0.18040 1.00000
Ru3 Ru 0.69572 0.58939 0.18044 1.00000
Ru4 Ru 0.39548 0.05494 0.85540 1.00000
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