PmH8IrAu2
Alexandria ALEXAlex-ID: agm004912946 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_745_spg2
H6Au PmH6Ir Au
2023-01-01 22:27:46.195084
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004912946).
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 agm004912946
data_agm004912946
_cell_length_a 5.18340
_cell_length_b 4.83342
_cell_length_c 6.36039
_cell_angle_alpha 51.42117
_cell_angle_beta 92.75983
_cell_angle_gamma 93.12341
_cell_volume 124.36672
_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
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
H1 H 0.02096 0.65543 0.32847 1.00000
H2 H 0.73037 0.88179 0.90077 1.00000
H3 H 0.82583 0.23107 0.05757 1.00000
H4 H 0.97904 0.34457 0.67153 1.00000
H5 H 0.26963 0.11821 0.09923 1.00000
H6 H 0.17417 0.76893 0.94243 1.00000
H7 H 0.58503 0.78027 0.51014 1.00000
H8 H 0.41497 0.21973 0.48986 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.44035 0.44990 0.78206 1.00000
Au2 Au 0.55965 0.55010 0.21794 1.00000
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