Pr4SmZn
Alexandria ALEXAlex-ID: agm003751649 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1592_spg12
PrSmZn Pr
2022-04-19 12:04:04.765555
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003751649).
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 agm003751649
data_agm003751649
_cell_length_a 3.78834
_cell_length_b 6.59767
_cell_length_c 8.89842
_cell_angle_alpha 74.67673
_cell_angle_beta 102.22870
_cell_angle_gamma 73.31100
_cell_volume 195.24926
_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 0.36640 0.96683 0.19881 1.00000
Pr2 Pr 0.63499 0.02794 0.79625 1.00000
Pr3 Pr 0.78382 0.57552 0.64081 1.00000
Pr4 Pr 0.22003 0.41867 0.35681 1.00000
Sm1 Sm 0.50143 0.49809 0.99887 1.00000
Zn1 Zn 0.00112 0.99667 0.49728 1.00000
Get direct link