Pr4Y3Tm4
Alexandria ALEXAlex-ID: agm005703239 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
PrY2 YTm2 Pr
2023-06-29 23:15:17.221755
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703239).
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 agm005703239
data_agm005703239
_cell_length_a 3.60357
_cell_length_b 5.06017
_cell_length_c 20.02708
_cell_angle_alpha 97.25184
_cell_angle_beta 95.16675
_cell_angle_gamma 90.01756
_cell_volume 360.76946
_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 0.54657 0.54595 0.09263 1.00000
Pr2 Pr 0.45345 0.45408 0.90738 1.00000
Pr3 Pr 0.81741 0.81749 0.63437 1.00000
Pr4 Pr 0.18253 0.18253 0.36563 1.00000
Y1 Y 0.63620 0.63585 0.27247 1.00000
Y2 Y 0.36376 0.36417 0.72752 1.00000
Y3 Y 0.00002 0.00002 0.00000 1.00000
Tm1 Tm 0.09194 0.09144 0.18391 1.00000
Tm2 Tm 0.27201 0.27204 0.54376 1.00000
Tm3 Tm 0.72790 0.72799 0.45624 1.00000
Tm4 Tm 0.90805 0.90859 0.81609 1.00000
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