La6PrTl5
Alexandria ALEXAlex-ID: agm006111893 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Pr5Tl3 La5Tl3 LaTl
2023-08-30 02:24:05.028377
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111893).
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 agm006111893
data_agm006111893
_cell_length_a 5.71752
_cell_length_b 7.77812
_cell_length_c 9.18483
_cell_angle_alpha 89.99997
_cell_angle_beta 71.86556
_cell_angle_gamma 89.99991
_cell_volume 388.17464
_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 0.00000 0.00000 1.00000
Tl1 Tl 0.66737 0.50000 0.66527 1.00000
Tl2 Tl 0.35073 1.00000 0.29855 1.00000
Tl3 Tl 0.00000 0.50000 0.00000 1.00000
Tl4 Tl 0.64927 0.00000 0.70145 1.00000
Tl5 Tl 0.33263 0.50000 0.33473 1.00000
La1 La 0.82543 0.75170 0.34914 1.00000
La2 La 0.82543 0.24830 0.34914 1.00000
La3 La 0.50000 0.27390 1.00000 1.00000
La4 La 0.50000 0.72610 0.00000 1.00000
La5 La 0.17457 0.75170 0.65086 1.00000
La6 La 0.17457 0.24830 0.65086 1.00000
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