Sr(PrTl)5
Alexandria ALEXAlex-ID: agm003673944 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_41_spg12
Pr5Tl3 PrTl SrTl
2022-04-09 18:18:58.817356
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673944).
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 agm003673944
data_agm003673944
_cell_length_a 6.17248
_cell_length_b 8.85326
_cell_length_c 7.55220
_cell_angle_alpha 99.46511
_cell_angle_beta 90.00000
_cell_angle_gamma 110.40167
_cell_volume 380.81320
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.63236 0.26472 0.39943 1.00000
Pr2 Pr 0.67750 0.35501 0.90228 1.00000
Pr3 Pr 0.00000 0.00000 0.50000 1.00000
Pr4 Pr 0.32250 0.64499 0.09772 1.00000
Pr5 Pr 0.36764 0.73528 0.60057 1.00000
Tl1 Tl 0.81953 0.63907 0.26935 1.00000
Tl2 Tl 0.82770 0.65540 0.69758 1.00000
Tl3 Tl 0.50000 0.00000 0.00000 1.00000
Tl4 Tl 0.17230 0.34460 0.30242 1.00000
Tl5 Tl 0.18047 0.36093 0.73065 1.00000
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