Pr(TlCl3)2
Alexandria ALEXAlex-ID: agm003501650 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_318_spg189
TlCl2 PrTl2Cl5 PrCl3
2022-02-24 00:42:01.711547
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003501650).
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 agm003501650
data_agm003501650
_cell_length_a 4.35391
_cell_length_b 7.95260
_cell_length_c 7.97249
_cell_angle_alpha 119.91749
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 239.26199
_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 0.50000 0.99977 0.00000 1.00000
Tl1 Tl 0.00000 0.33256 0.66673 1.00000
Tl2 Tl 0.00000 0.66584 0.33327 1.00000
Cl1 Cl 0.50000 0.61983 0.00000 1.00000
Cl2 Cl 0.50000 0.38076 0.37967 1.00000
Cl3 Cl 0.50000 0.00109 0.62033 1.00000
Cl4 Cl 0.00000 0.24282 1.00000 1.00000
Cl5 Cl 0.00000 0.75734 0.75731 1.00000
Cl6 Cl 0.00000 0.00003 0.24269 1.00000
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