Hg(Sb3Ru)4
Alexandria ALEXAlex-ID: agm006010459 · Space group: Im-3 (#204)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_67_spg204
Hg Sb2Ru Sb
2023-08-08 11:13:18.043143
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010459).
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 agm006010459
data_agm006010459
_cell_length_a 8.15308
_cell_length_b 8.15308
_cell_length_c 8.15308
_cell_angle_alpha 109.47120
_cell_angle_beta 109.47126
_cell_angle_gamma 109.47123
_cell_volume 417.19916
_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
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.84283 0.33881 0.18163 1.00000
Sb2 Sb 0.33881 0.49598 0.15717 1.00000
Sb3 Sb 0.81837 0.15717 0.66119 1.00000
Sb4 Sb 0.33881 0.18163 0.84283 1.00000
Sb5 Sb 0.18163 0.84283 0.33881 1.00000
Sb6 Sb 0.66119 0.50402 0.84283 1.00000
Sb7 Sb 0.49598 0.15718 0.33881 1.00000
Sb8 Sb 0.50402 0.84282 0.66119 1.00000
Sb9 Sb 0.66119 0.81837 0.15717 1.00000
Sb10 Sb 0.84282 0.66119 0.50402 1.00000
Sb11 Sb 0.15718 0.33881 0.49599 1.00000
Sb12 Sb 0.15718 0.66119 0.81837 1.00000
Ru1 Ru 0.00000 0.50000 0.00000 1.00000
Ru2 Ru 0.50000 0.00000 0.00000 1.00000
Ru3 Ru 0.50000 0.50000 0.50000 1.00000
Ru4 Ru 0.00000 0.00000 0.50000 1.00000
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