PrY3Tm
Alexandria ALEXAlex-ID: agm003705339 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5325_spg11
Y5Tm PrY2 YTm2
2022-04-18 03:58:39.007963
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705339).
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 agm003705339
data_agm003705339
_cell_length_a 3.64131
_cell_length_b 8.54795
_cell_length_c 11.60698
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.47731
_cell_volume 354.05181
_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 0.89723 0.51519 0.25000 1.00000
Pr2 Pr 0.10277 0.48481 0.75000 1.00000
Y1 Y 0.83617 0.18928 0.00112 1.00000
Y2 Y 0.16383 0.81072 0.99888 1.00000
Y3 Y 0.83617 0.18928 0.49888 1.00000
Y4 Y 0.16383 0.81072 0.50112 1.00000
Y5 Y 0.64806 0.86491 0.25000 1.00000
Y6 Y 0.35194 0.13509 0.75000 1.00000
Tm1 Tm 0.29765 0.17925 0.25000 1.00000
Tm2 Tm 0.70235 0.82075 0.75000 1.00000
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