Pr3(Zn2Ru)2
Alexandria ALEXAlex-ID: agm005669977 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
PrZn2 PrZnRu
2023-06-29 07:56:10.139998
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669977).
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 agm005669977
data_agm005669977
_cell_length_a 4.21058
_cell_length_b 6.09879
_cell_length_c 8.76395
_cell_angle_alpha 69.84357
_cell_angle_beta 76.10036
_cell_angle_gamma 69.80609
_cell_volume 196.39610
_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 0.31107 0.73568 0.64218 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.68893 0.26432 0.35782 1.00000
Zn1 Zn 0.27867 0.38206 0.06061 1.00000
Zn2 Zn 0.72133 0.61794 0.93939 1.00000
Zn3 Zn 0.02924 0.30889 0.63262 1.00000
Zn4 Zn 0.97076 0.69111 0.36738 1.00000
Ru1 Ru 0.39196 0.95248 0.26360 1.00000
Ru2 Ru 0.60804 0.04752 0.73640 1.00000
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