TmH8Ir2Au
Alexandria ALEXAlex-ID: agm004875911 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_328_spg12
H6Au TmH6Ir Au Ir
2023-01-01 22:27:29.939033
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875911).
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 agm004875911
data_agm004875911
_cell_length_a 4.15102
_cell_length_b 4.84533
_cell_length_c 6.53621
_cell_angle_alpha 61.96722
_cell_angle_beta 71.48579
_cell_angle_gamma 64.63697
_cell_volume 103.73563
_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 0.50000 0.50000 0.50000 1.00000
H1 H 0.91620 0.54502 0.62258 1.00000
H2 H 0.71195 0.45411 0.12199 1.00000
H3 H 0.08380 0.45498 0.37742 1.00000
H4 H 0.28805 0.54589 0.87801 1.00000
H5 H 0.57451 0.02810 0.34119 1.00000
H6 H 0.42549 0.97190 0.65881 1.00000
H7 H 0.05621 0.02810 0.34119 1.00000
H8 H 0.94379 0.97190 0.65881 1.00000
Ir1 Ir 0.26716 0.29156 0.17412 1.00000
Ir2 Ir 0.73284 0.70844 0.82588 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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