Pr4Y4Tm3
Alexandria ALEXAlex-ID: agm005703246 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_146_spg12
PrY2 YTm2 Pr
2023-06-30 01:39:09.669420
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703246).
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 agm005703246
data_agm005703246
_cell_length_a 3.63263
_cell_length_b 9.36544
_cell_length_c 12.14153
_cell_angle_alpha 112.68595
_cell_angle_beta 98.60479
_cell_angle_gamma 90.00000
_cell_volume 376.06700
_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 0.64227 0.46403 0.28425 1.00000
Pr2 Pr 0.35773 0.17978 0.71575 1.00000
Pr3 Pr 0.35773 0.53597 0.71575 1.00000
Pr4 Pr 0.64227 0.82022 0.28425 1.00000
Y1 Y 0.73934 0.23945 0.47891 1.00000
Y2 Y 0.26066 0.76055 0.52109 1.00000
Y3 Y 0.50000 0.81874 1.00000 1.00000
Y4 Y 0.50000 0.18126 0.00000 1.00000
Tm1 Tm 0.89263 0.89269 0.78539 1.00000
Tm2 Tm 0.10737 0.10731 0.21461 1.00000
Tm3 Tm 0.00000 0.50000 0.00000 1.00000
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