ZrTl4
Alexandria ALEXAlex-ID: agm005409958 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_261_spg139
Zr3Tl Tl
2023-03-17 22:21:26.675835
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005409958).
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 agm005409958
data_agm005409958
_cell_length_a 8.91774
_cell_length_b 8.91774
_cell_length_c 8.91774
_cell_angle_alpha 152.87350
_cell_angle_beta 152.87350
_cell_angle_gamma 38.73906
_cell_volume 147.18870
_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
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.75000 0.25000 0.50000 1.00000
Tl2 Tl 0.25000 0.75000 0.50000 1.00000
Tl3 Tl 0.58784 0.58784 0.00000 1.00000
Tl4 Tl 0.41216 0.41216 0.00000 1.00000
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