Zr4Tl3Cd
Alexandria ALEXAlex-ID: agm005986003 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_366_spg12
Zr2TlCd Zr3Tl Tl
2023-10-09 09:27:17.842322
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005986003).
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 agm005986003
data_agm005986003
_cell_length_a 5.36706
_cell_length_b 5.36698
_cell_length_c 7.36967
_cell_angle_alpha 111.26227
_cell_angle_beta 111.35417
_cell_angle_gamma 90.00000
_cell_volume 182.10599
_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 0.00000 0.50000 0.00000 1.00000
Tl2 Tl 0.74577 0.24571 0.49154 1.00000
Tl3 Tl 0.25423 0.75429 0.50846 1.00000
Zr1 Zr 0.37486 0.37526 0.74972 1.00000
Zr2 Zr 0.62514 0.62474 0.25028 1.00000
Zr3 Zr 0.12514 0.12501 0.25029 1.00000
Zr4 Zr 0.87486 0.87499 0.74971 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
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