Pr12Tl2In5
Alexandria ALEXAlex-ID: agm003371355 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_33_spg12
Pr5Tl3 Pr3In PrIn
2022-02-07 00:21:28.595439
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003371355).
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 agm003371355
data_agm003371355
_cell_length_a 8.18658
_cell_length_b 9.30173
_cell_length_c 9.35957
_cell_angle_alpha 83.82906
_cell_angle_beta 90.00000
_cell_angle_gamma 116.10751
_cell_volume 635.40392
_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 0.95086 0.90172 0.18183 1.00000
Pr2 Pr 0.04259 0.65717 0.87818 1.00000
Pr3 Pr 0.61458 0.65717 0.87818 1.00000
Pr4 Pr 0.11220 0.70995 0.46042 1.00000
Pr5 Pr 0.59775 0.70995 0.46042 1.00000
Pr6 Pr 0.46983 0.93965 0.68927 1.00000
Pr7 Pr 0.53017 0.06035 0.31073 1.00000
Pr8 Pr 0.88780 0.29005 0.53958 1.00000
Pr9 Pr 0.40225 0.29005 0.53958 1.00000
Pr10 Pr 0.95741 0.34283 0.12182 1.00000
Pr11 Pr 0.38542 0.34283 0.12182 1.00000
Pr12 Pr 0.04914 0.09828 0.81817 1.00000
Tl1 Tl 0.68198 0.00000 0.00000 1.00000
Tl2 Tl 0.31802 1.00000 1.00000 1.00000
In1 In 0.25075 0.50149 0.71436 1.00000
In2 In 0.34170 0.68339 0.17071 1.00000
In3 In 0.00000 0.00000 0.50000 1.00000
In4 In 0.65830 0.31661 0.82929 1.00000
In5 In 0.74925 0.49851 0.28564 1.00000
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