Pm3PrY2
Alexandria ALEXAlex-ID: agm005583477 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2372_spg2
Pm3PrY4 Pm5Y Pm2Pr
2023-08-29 23:07:13.610066
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005583477).
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 agm005583477
data_agm005583477
_cell_length_a 7.32816
_cell_length_b 10.41097
_cell_length_c 7.32657
_cell_angle_alpha 79.90858
_cell_angle_beta 119.98873
_cell_angle_gamma 121.79064
_cell_volume 408.54773
_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
Pm1 Pm 0.25185 0.00135 0.75120 1.00000
Pm2 Pm 0.74815 0.99865 0.24880 1.00000
Pm3 Pm 0.80383 0.66520 0.86085 1.00000
Pm4 Pm 0.19587 0.33430 0.63923 1.00000
Pm5 Pm 0.80413 0.66570 0.36077 1.00000
Pm6 Pm 0.19617 0.33480 0.13915 1.00000
Pr1 Pr 0.25261 0.00170 0.25102 1.00000
Pr2 Pr 0.74739 0.99830 0.74898 1.00000
Y1 Y 0.30269 0.66476 0.35947 1.00000
Y2 Y 0.30276 0.66528 0.85988 1.00000
Y3 Y 0.69724 0.33472 0.14012 1.00000
Y4 Y 0.69731 0.33524 0.64053 1.00000
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