PrDyTl4
Alexandria ALEXAlex-ID: agm003752001 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1118_spg47
PrTl3 DyTl
2022-04-18 22:11:52.194831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752001).
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 agm003752001
data_agm003752001
_cell_length_a 3.86940
_cell_length_b 5.09167
_cell_length_c 8.76437
_cell_angle_alpha 89.99470
_cell_angle_beta 90.06362
_cell_angle_gamma 89.99465
_cell_volume 172.67303
_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 0.25091 0.49725 0.99851 1.00000
Dy1 Dy 0.25179 0.99734 0.49768 1.00000
Tl1 Tl 0.62809 0.99724 0.16954 1.00000
Tl2 Tl 0.87610 0.99728 0.82608 1.00000
Tl3 Tl 0.60152 0.49729 0.66022 1.00000
Tl4 Tl 0.89939 0.49732 0.33681 1.00000
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