Pr5Tl5Zn2
Alexandria ALEXAlex-ID: agm005666785 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
PrTlZn PrTl
2023-06-19 14:59:57.058824
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666785).
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 agm005666785
data_agm005666785
_cell_length_a 4.87679
_cell_length_b 8.70848
_cell_length_c 8.83772
_cell_angle_alpha 96.21487
_cell_angle_beta 73.98388
_cell_angle_gamma 73.73965
_cell_volume 339.26168
_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
Pr1 Pr 0.00000 0.50000 0.50000 1.00000
Pr2 Pr 0.69064 0.68912 0.92959 1.00000
Pr3 Pr 0.34128 0.98520 0.33225 1.00000
Pr4 Pr 0.65872 0.01480 0.66775 1.00000
Pr5 Pr 0.30936 0.31088 0.07041 1.00000
Tl1 Tl 0.69953 0.24931 0.35164 1.00000
Tl2 Tl 0.97382 0.27442 0.77793 1.00000
Tl3 Tl 0.02618 0.72558 0.22207 1.00000
Tl4 Tl 0.30047 0.75069 0.64836 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.40576 0.44329 0.74520 1.00000
Zn2 Zn 0.59424 0.55671 0.25480 1.00000
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