Ho12Ag2Hg5
Alexandria ALEXAlex-ID: agm003370467 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_28_spg12
Ho2Hg HoAg
2022-02-06 11:24:36.503560
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370467).
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 agm003370467
data_agm003370467
_cell_length_a 8.59672
_cell_length_b 8.23863
_cell_length_c 9.01363
_cell_angle_alpha 94.09746
_cell_angle_beta 90.00000
_cell_angle_gamma 121.44854
_cell_volume 542.70396
_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 0.92494 0.84989 0.15845 1.00000
Ho2 Ho 0.02117 0.62755 0.82478 1.00000
Ho3 Ho 0.60638 0.62755 0.82478 1.00000
Ho4 Ho 0.16099 0.74811 0.44635 1.00000
Ho5 Ho 0.58712 0.74811 0.44635 1.00000
Ho6 Ho 0.47576 0.95152 0.75724 1.00000
Ho7 Ho 0.52424 0.04848 0.24276 1.00000
Ho8 Ho 0.83901 0.25189 0.55365 1.00000
Ho9 Ho 0.41288 0.25189 0.55365 1.00000
Ho10 Ho 0.97883 0.37245 0.17522 1.00000
Ho11 Ho 0.39362 0.37245 0.17522 1.00000
Ho12 Ho 0.07506 0.15011 0.84155 1.00000
Ag1 Ag 0.73243 1.00000 1.00000 1.00000
Ag2 Ag 0.26757 0.00000 0.00000 1.00000
Hg1 Hg 0.25145 0.50289 0.62666 1.00000
Hg2 Hg 0.33301 0.66602 0.04746 1.00000
Hg3 Hg 0.00000 0.00000 0.50000 1.00000
Hg4 Hg 0.66699 0.33398 0.95254 1.00000
Hg5 Hg 0.74855 0.49711 0.37334 1.00000
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