Pr2MgZn4
Alexandria ALEXAlex-ID: agm006012785 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1633_spg166
PrZn2 PrMgZn2
2023-10-13 19:48:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012785).
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 agm006012785
data_agm006012785
_cell_length_a 4.90595
_cell_length_b 4.90595
_cell_length_c 8.62610
_cell_angle_alpha 73.47901
_cell_angle_beta 73.47900
_cell_angle_gamma 59.99989
_cell_volume 169.83129
_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 0.75014 0.75014 0.74957 1.00000
Pr2 Pr 0.24986 0.24986 0.25043 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.87433 0.87433 0.37702 1.00000
Zn2 Zn 0.12567 0.12567 0.62298 1.00000
Zn3 Zn 0.62601 0.62601 0.12198 1.00000
Zn4 Zn 0.37399 0.37399 0.87802 1.00000
Get direct link