Ho3HgRh
Alexandria ALEXAlex-ID: agm005802908 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6933_spg2
Ho5HgRh2 HoHg
2023-07-05 13:51:49.995125
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802908).
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 agm005802908
data_agm005802908
_cell_length_a 5.78649
_cell_length_b 5.78648
_cell_length_c 8.74563
_cell_angle_alpha 101.58329
_cell_angle_beta 101.57949
_cell_angle_gamma 113.15055
_cell_volume 250.73346
_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
Ho1 Ho 0.30329 0.80330 0.10659 1.00000
Ho2 Ho 0.69671 0.19670 0.89341 1.00000
Ho3 Ho 0.07206 0.20634 0.27840 1.00000
Ho4 Ho 0.92794 0.79366 0.72160 1.00000
Ho5 Ho 0.70632 0.57211 0.27843 1.00000
Ho6 Ho 0.29368 0.42789 0.72157 1.00000
Hg1 Hg 0.71698 0.21698 0.50000 1.00000
Hg2 Hg 0.28302 0.78302 0.50000 1.00000
Rh1 Rh 0.25001 0.25001 0.00000 1.00000
Rh2 Rh 0.74999 0.74999 0.00000 1.00000
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