Pr2ZnNiIr
Alexandria ALEXAlex-ID: agm059130998 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_28_spg11
PrZnNi2 Pr2ZnIr2 Pr2ZnIr Pr5Ir3
2024-10-23 22:24:43.450156
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059130998).
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
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# CIF generated by HEAS from Alexandria entry agm059130998
data_agm059130998
_cell_length_a 4.20260
_cell_length_b 7.26245
_cell_length_c 7.68065
_cell_angle_alpha 66.58973
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 215.12549
_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 0.75000 0.37356 0.37337 1.00000
Pr2 Pr 0.75000 0.95133 0.20219 1.00000
Pr3 Pr 0.25000 0.62644 0.62663 1.00000
Pr4 Pr 0.25000 0.04867 0.79781 1.00000
Zn1 Zn 0.25000 0.34170 0.06495 1.00000
Zn2 Zn 0.75000 0.65830 0.93505 1.00000
Ni1 Ni 0.25000 0.07196 0.41361 1.00000
Ni2 Ni 0.75000 0.92804 0.58639 1.00000
Ir1 Ir 0.25000 0.67042 0.16639 1.00000
Ir2 Ir 0.75000 0.32958 0.83361 1.00000
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