Pm2Pr7Y3
Alexandria ALEXAlex-ID: agm005602835 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_105_spg10
PmPr3Y4 Pm2Pr Pr
2023-06-13 18:19:47.450955
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602835).
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 agm005602835
data_agm005602835
_cell_length_a 5.57408
_cell_length_b 6.28438
_cell_length_c 12.69223
_cell_angle_alpha 90.44761
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 444.59043
_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 0.50000 0.60057 0.27924 1.00000
Pm2 Pm 0.50000 0.39943 0.72076 1.00000
Pr1 Pr 0.50000 0.24195 0.45471 1.00000
Pr2 Pr 0.50000 0.75805 0.54529 1.00000
Pr3 Pr 0.00000 0.44230 0.18160 1.00000
Pr4 Pr 0.00000 0.00000 0.00000 1.00000
Pr5 Pr 0.00000 0.55770 0.81840 1.00000
Pr6 Pr 0.50000 0.92247 0.82906 1.00000
Pr7 Pr 0.50000 0.07753 0.17094 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.00000 0.93095 0.34574 1.00000
Y3 Y 0.00000 0.06905 0.65426 1.00000
Get direct link