Hf2Zr3Tl2
Alexandria ALEXAlex-ID: agm009806325 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_533_spg12
Zr3Tl Hf Tl
2024-03-19 17:28:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009806325).
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 agm009806325
data_agm009806325
_cell_length_a 5.53845
_cell_length_b 5.53845
_cell_length_c 9.54420
_cell_angle_alpha 85.36172
_cell_angle_beta 85.36172
_cell_angle_gamma 33.88750
_cell_volume 162.64990
_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
Hf1 Hf 0.42095 0.42095 0.28316 1.00000
Hf2 Hf 0.57905 0.57905 0.71684 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Zr2 Zr 0.86421 0.86421 0.56548 1.00000
Zr3 Zr 0.13579 0.13579 0.43452 1.00000
Tl1 Tl 0.70701 0.70701 0.14928 1.00000
Tl2 Tl 0.29299 0.29299 0.85072 1.00000
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