Pr4MgSc
Alexandria ALEXAlex-ID: agm003750147 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1414_spg65
Pr PrMg Sc
2022-04-18 16:29:34.545527
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003750147).
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 agm003750147
data_agm003750147
_cell_length_a 5.64226
_cell_length_b 6.39514
_cell_length_c 6.39511
_cell_angle_alpha 88.37809
_cell_angle_beta 89.99948
_cell_angle_gamma 89.99892
_cell_volume 230.66247
_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 0.50000 0.32320 0.67684 1.00000
Pr2 Pr 0.00001 0.82740 0.82736 1.00000
Pr3 Pr 0.99999 0.17260 0.17264 1.00000
Pr4 Pr 0.50000 0.67680 0.32316 1.00000
Mg1 Mg 0.00000 0.50000 0.50000 1.00000
Sc1 Sc 0.50000 0.00000 0.00000 1.00000
