Tm3IrAu2
Alexandria ALEXAlex-ID: agm033592902 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2535_spg2
Tm2IrAu TmAu
2025-04-15 10:41:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033592902).
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 agm033592902
data_agm033592902
_cell_length_a 7.76945
_cell_length_b 7.76945
_cell_length_c 8.61209
_cell_angle_alpha 57.18569
_cell_angle_beta 122.81431
_cell_angle_gamma 142.99077
_cell_volume 256.79775
_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 0.58134 0.41866 0.24252 1.00000
Tm2 Tm 0.75057 0.24943 0.76430 1.00000
Tm3 Tm 0.41866 0.58134 0.75748 1.00000
Tm4 Tm 0.09189 0.90811 0.76283 1.00000
Tm5 Tm 0.90811 0.09189 0.23717 1.00000
Tm6 Tm 0.24943 0.75057 0.23570 1.00000
Ir1 Ir 0.33327 0.66673 0.99835 1.00000
Ir2 Ir 0.66673 0.33327 0.00165 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.50000 0.50000 0.50000 1.00000
Au3 Au 0.83753 0.16247 0.50905 1.00000
Au4 Au 0.16247 0.83753 0.49095 1.00000
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