Tm4IrAu
Alexandria ALEXAlex-ID: agm005808094 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_370_spg62
Tm5IrAu2 Tm2Au Tm5Ir2
2023-07-31 15:01:25.171155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808094).
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 agm005808094
data_agm005808094
_cell_length_a 4.68186
_cell_length_b 8.23612
_cell_length_c 15.54792
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 599.53325
_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 0.75000 0.86728 0.66367 1.00000
Tm2 Tm 0.25000 0.13272 0.33633 1.00000
Tm3 Tm 0.25000 0.63272 0.16367 1.00000
Tm4 Tm 0.75000 0.36728 0.83633 1.00000
Tm5 Tm 0.75000 0.85011 0.43448 1.00000
Tm6 Tm 0.25000 0.14989 0.56552 1.00000
Tm7 Tm 0.25000 0.64989 0.93448 1.00000
Tm8 Tm 0.75000 0.35011 0.06552 1.00000
Tm9 Tm 0.75000 0.96986 0.91992 1.00000
Tm10 Tm 0.25000 0.03014 0.08008 1.00000
Tm11 Tm 0.25000 0.53014 0.41992 1.00000
Tm12 Tm 0.75000 0.46986 0.58008 1.00000
Tm13 Tm 0.75000 0.91107 0.22642 1.00000
Tm14 Tm 0.25000 0.08893 0.77358 1.00000
Tm15 Tm 0.25000 0.58893 0.72642 1.00000
Tm16 Tm 0.75000 0.41107 0.27358 1.00000
Ir1 Ir 0.75000 0.69222 0.81782 1.00000
Ir2 Ir 0.25000 0.30778 0.18218 1.00000
Ir3 Ir 0.25000 0.80778 0.31782 1.00000
Ir4 Ir 0.75000 0.19222 0.68218 1.00000
Au1 Au 0.75000 0.24006 0.43948 1.00000
Au2 Au 0.25000 0.75994 0.56052 1.00000
Au3 Au 0.25000 0.25994 0.93948 1.00000
Au4 Au 0.75000 0.74006 0.06052 1.00000
