Pr3Zn3Ru2
Alexandria ALEXAlex-ID: agm008998901 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
Pr2Zn2Ru PrZnRu
2024-04-24 20:31:33.390785
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008998901).
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 agm008998901
data_agm008998901
_cell_length_a 6.04453
_cell_length_b 6.04453
_cell_length_c 16.15086
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 140.78338
_cell_volume 373.08876
_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 0.14714 0.85286 0.91642 1.00000
Pr2 Pr 0.85286 0.14714 0.41642 1.00000
Pr3 Pr 0.14714 0.85286 0.58358 1.00000
Pr4 Pr 0.85286 0.14714 0.08358 1.00000
Pr5 Pr 0.40616 0.59384 0.75000 1.00000
Pr6 Pr 0.59384 0.40616 0.25000 1.00000
Zn1 Zn 0.42455 0.57545 0.94135 1.00000
Zn2 Zn 0.57545 0.42455 0.44135 1.00000
Zn3 Zn 0.42455 0.57545 0.55865 1.00000
Zn4 Zn 0.57545 0.42455 0.05865 1.00000
Zn5 Zn 0.68902 0.31098 0.75000 1.00000
Zn6 Zn 0.31098 0.68902 0.25000 1.00000
Ru1 Ru 0.17649 0.82351 0.37636 1.00000
Ru2 Ru 0.82351 0.17649 0.87636 1.00000
Ru3 Ru 0.17649 0.82351 0.12364 1.00000
Ru4 Ru 0.82351 0.17649 0.62364 1.00000
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