ZrTlCu
Alexandria ALEXAlex-ID: agm003062467 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_75_spg12
Zr2TlCu2 Tl
2015-04-28 02:20:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003062467).
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 agm003062467
data_agm003062467
_cell_length_a 5.18172
_cell_length_b 4.20630
_cell_length_c 6.58426
_cell_angle_alpha 108.61292
_cell_angle_beta 109.70799
_cell_angle_gamma 66.07974
_cell_volume 120.69219
_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
Tl1 Tl 0.39551 0.20413 0.13608 1.00000
Tl2 Tl 0.31213 0.96846 0.58129 1.00000
Zr1 Zr 0.94162 0.81635 0.90711 1.00000
Zr2 Zr 0.85861 0.56595 0.32216 1.00000
Cu1 Cu 0.72266 0.25835 0.57095 1.00000
Cu2 Cu 0.54011 0.51368 0.90014 1.00000
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