Pr3TlRu
Alexandria ALEXAlex-ID: agm003705201 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5018_spg12
PrTl Pr5TlRu2
2022-04-17 08:32:12.014474
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705201).
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 agm003705201
data_agm003705201
_cell_length_a 5.76638
_cell_length_b 6.88661
_cell_length_c 9.15138
_cell_angle_alpha 109.72075
_cell_angle_beta 90.00000
_cell_angle_gamma 114.75043
_cell_volume 306.39795
_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 0.89301 0.78602 0.77738 1.00000
Pr2 Pr 0.10699 0.21398 0.22262 1.00000
Pr3 Pr 0.61635 0.23270 0.90330 1.00000
Pr4 Pr 0.38365 0.76730 0.09670 1.00000
Pr5 Pr 0.83950 0.67901 0.34851 1.00000
Pr6 Pr 0.16050 0.32099 0.65149 1.00000
Tl1 Tl 0.38892 0.77784 0.54128 1.00000
Tl2 Tl 0.61108 0.22216 0.45872 1.00000
Ru1 Ru 0.13862 0.27723 0.93641 1.00000
Ru2 Ru 0.86138 0.72277 0.06359 1.00000
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