Tm3Al3Ir2Au
Alexandria ALEXAlex-ID: agm035937346 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
Tm3Al3Ir2Au
2025-02-28 10:33:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035937346).
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 agm035937346
data_agm035937346
_cell_length_a 6.79347
_cell_length_b 4.35505
_cell_length_c 23.50075
_cell_angle_alpha 90.00000
_cell_angle_beta 90.08588
_cell_angle_gamma 90.00000
_cell_volume 695.29031
_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 0.52287 0.00000 0.93902 1.00000
Tm2 Tm 0.52425 0.00000 0.60289 1.00000
Tm3 Tm 0.52401 0.00000 0.27137 1.00000
Tm4 Tm 0.02387 0.00000 0.89727 1.00000
Tm5 Tm 0.02994 0.00000 0.55789 1.00000
Tm6 Tm 0.03046 0.00000 0.22612 1.00000
Tm7 Tm 0.46695 0.50000 0.72455 1.00000
Tm8 Tm 0.45739 0.50000 0.39351 1.00000
Tm9 Tm 0.45586 0.50000 0.06098 1.00000
Tm10 Tm 0.96636 0.50000 0.77537 1.00000
Tm11 Tm 0.97645 0.50000 0.44176 1.00000
Tm12 Tm 0.97479 0.50000 0.10958 1.00000
Al1 Al 0.65376 0.00000 0.81611 1.00000
Al2 Al 0.63674 0.00000 0.48113 1.00000
Al3 Al 0.63631 0.00000 0.14883 1.00000
Al4 Al 0.15329 0.00000 0.68302 1.00000
Al5 Al 0.15248 0.00000 0.35297 1.00000
Al6 Al 0.15200 0.00000 0.02105 1.00000
Al7 Al 0.36003 0.50000 0.85572 1.00000
Al8 Al 0.35801 0.50000 0.52033 1.00000
Al9 Al 0.35918 0.50000 0.18753 1.00000
Al10 Al 0.85883 0.50000 0.97848 1.00000
Al11 Al 0.86316 0.50000 0.64338 1.00000
Al12 Al 0.86303 0.50000 0.31064 1.00000
Ir1 Ir 0.26513 0.00000 0.45896 1.00000
Ir2 Ir 0.26449 0.00000 0.12629 1.00000
Ir3 Ir 0.23168 0.50000 0.96009 1.00000
Ir4 Ir 0.23477 0.50000 0.62682 1.00000
Ir5 Ir 0.23436 0.50000 0.29322 1.00000
Ir6 Ir 0.73158 0.50000 0.87349 1.00000
Ir7 Ir 0.73333 0.50000 0.53940 1.00000
Ir8 Ir 0.73283 0.50000 0.20683 1.00000
Au1 Au 0.76949 0.00000 0.70724 1.00000
Au2 Au 0.76804 0.00000 0.37409 1.00000
Au3 Au 0.76648 0.00000 0.04122 1.00000
Au4 Au 0.26782 0.00000 0.79285 1.00000
