Tm6Hg3IrRu2
Alexandria ALEXAlex-ID: agm044234564 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_407_spg2
Tm2HgIr Tm8Hg4IrRu3
2024-12-09 14:30:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044234564).
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 agm044234564
data_agm044234564
_cell_length_a 7.62064
_cell_length_b 7.62064
_cell_length_c 8.96802
_cell_angle_alpha 59.29235
_cell_angle_beta 120.70765
_cell_angle_gamma 143.04204
_cell_volume 263.86451
_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
Tm1 Tm 0.09426 0.90574 0.78252 1.00000
Tm2 Tm 0.23939 0.76061 0.21726 1.00000
Tm3 Tm 0.90574 0.09426 0.21748 1.00000
Tm4 Tm 0.42752 0.57248 0.78179 1.00000
Tm5 Tm 0.76061 0.23939 0.78274 1.00000
Tm6 Tm 0.57248 0.42752 0.21821 1.00000
Hg1 Hg 0.83206 0.16794 0.49574 1.00000
Hg2 Hg 0.16794 0.83206 0.50426 1.00000
Hg3 Hg 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.66694 0.33306 0.00039 1.00000
Ru2 Ru 0.33306 0.66694 0.99961 1.00000
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