Tm2Zr3Au2
Alexandria ALEXAlex-ID: agm008923907 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_21_spg12
Zr TmAu
2024-07-14 18:35:42.526429
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008923907).
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
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# CIF generated by HEAS from Alexandria entry agm008923907
data_agm008923907
_cell_length_a 5.56731
_cell_length_b 5.56731
_cell_length_c 7.68269
_cell_angle_alpha 69.41561
_cell_angle_beta 69.41561
_cell_angle_gamma 49.37310
_cell_volume 166.64975
_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 0.12269 0.12269 0.23693 1.00000
Tm2 Tm 0.87731 0.87731 0.76307 1.00000
Zr1 Zr 0.50000 0.50000 0.00000 1.00000
Zr2 Zr 0.36020 0.36020 0.46223 1.00000
Zr3 Zr 0.63980 0.63980 0.53777 1.00000
Au1 Au 0.15578 0.15578 0.82722 1.00000
Au2 Au 0.84422 0.84422 0.17278 1.00000
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