Pr3TlRu
Alexandria ALEXAlex-ID: agm005779716 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6933_spg2
PrTl Pr5TlRu2
2023-07-05 15:31:31.243628
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779716).
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 agm005779716
data_agm005779716
_cell_length_a 6.13978
_cell_length_b 6.13977
_cell_length_c 8.95047
_cell_angle_alpha 102.27590
_cell_angle_beta 102.27142
_cell_angle_gamma 112.34639
_cell_volume 288.41654
_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 0.30032 0.80033 0.10066 1.00000
Pr2 Pr 0.69968 0.19967 0.89934 1.00000
Pr3 Pr 0.08127 0.19538 0.27665 1.00000
Pr4 Pr 0.91873 0.80462 0.72335 1.00000
Pr5 Pr 0.69535 0.58133 0.27668 1.00000
Pr6 Pr 0.30465 0.41867 0.72332 1.00000
Tl1 Tl 0.71168 0.21167 0.50000 1.00000
Tl2 Tl 0.28832 0.78833 0.50000 1.00000
Ru1 Ru 0.25001 0.25001 0.00000 1.00000
Ru2 Ru 0.74999 0.74999 1.00000 1.00000
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