DyThHgIr
Alexandria ALEXAlex-ID: agm005200996 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_113_spg8
DyHg ThIr
2022-07-10 11:35:32.147719
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005200996).
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 agm005200996
data_agm005200996
_cell_length_a 4.14217
_cell_length_b 4.13905
_cell_length_c 7.86292
_cell_angle_alpha 89.99798
_cell_angle_beta 105.28142
_cell_angle_gamma 119.97073
_cell_volume 111.24528
_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
Dy1 Dy 0.50077 0.14836 0.66386 1.00000
Th1 Th 0.10031 0.94806 0.06412 1.00000
Hg1 Hg 0.97568 0.38589 0.37706 1.00000
Ir1 Ir 0.30114 0.54850 0.86463 1.00000
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