Sc8Cu3Hg4Rh
Alexandria ALEXAlex-ID: agm060433170 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_71_spg123
Sc3Cu2Rh ScHg ScCu
2024-12-23 13:22:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm060433170).
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 agm060433170
data_agm060433170
_cell_length_a 6.60033
_cell_length_b 6.60033
_cell_length_c 7.18750
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 313.11888
_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 0.25162 0.74838 0.27902 1.00000
Sc2 Sc 0.25162 0.25162 0.27902 1.00000
Sc3 Sc 0.25162 0.25162 0.72098 1.00000
Sc4 Sc 0.74838 0.25162 0.27902 1.00000
Sc5 Sc 0.25162 0.74838 0.72098 1.00000
Sc6 Sc 0.74838 0.74838 0.27902 1.00000
Sc7 Sc 0.74838 0.74838 0.72098 1.00000
Sc8 Sc 0.74838 0.25162 0.72098 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Cu2 Cu 0.00000 0.50000 0.50000 1.00000
Cu3 Cu 0.50000 0.00000 0.50000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.00000 0.50000 0.00000 1.00000
Hg3 Hg 0.50000 0.50000 0.00000 1.00000
Hg4 Hg 0.50000 0.00000 0.00000 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
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