Tm2Cu3Au
Alexandria ALEXAlex-ID: agm005667501 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_285_spg194
Tm2Cu7 TmCu2 TmAu
2023-08-17 15:29:29.713253
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667501).
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 agm005667501
data_agm005667501
_cell_length_a 6.82721
_cell_length_b 8.71110
_cell_length_c 8.71110
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 448.66283
_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 0.25000 0.00000 0.00000 1.00000
Tm2 Tm 0.75000 0.00000 0.00000 1.00000
Tm3 Tm 0.25000 0.48823 0.97645 1.00000
Tm4 Tm 0.25000 0.48823 0.51177 1.00000
Tm5 Tm 0.25000 0.02355 0.51177 1.00000
Tm6 Tm 0.75000 0.51177 0.02355 1.00000
Tm7 Tm 0.75000 0.51177 0.48823 1.00000
Tm8 Tm 0.75000 0.97645 0.48823 1.00000
Cu1 Cu 0.01246 0.83867 0.67733 1.00000
Cu2 Cu 0.01246 0.83867 0.16133 1.00000
Cu3 Cu 0.01246 0.32267 0.16133 1.00000
Cu4 Cu 0.98754 0.16133 0.32267 1.00000
Cu5 Cu 0.98754 0.16133 0.83867 1.00000
Cu6 Cu 0.98754 0.67733 0.83867 1.00000
Cu7 Cu 0.51246 0.16133 0.32267 1.00000
Cu8 Cu 0.51246 0.16133 0.83867 1.00000
Cu9 Cu 0.51246 0.67733 0.83867 1.00000
Cu10 Cu 0.48754 0.83867 0.67733 1.00000
Cu11 Cu 0.48754 0.83867 0.16133 1.00000
Cu12 Cu 0.48754 0.32267 0.16133 1.00000
Au1 Au 0.02676 0.66667 0.33333 1.00000
Au2 Au 0.97324 0.33333 0.66667 1.00000
Au3 Au 0.52676 0.33333 0.66667 1.00000
Au4 Au 0.47324 0.66667 0.33333 1.00000
