Pr2ZnAg5
Alexandria ALEXAlex-ID: agm005992146 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_1261_spg63
Pr2Zn3Ag4 PrAg2 Pr14Ag51
2023-09-06 07:43:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992146).
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 agm005992146
data_agm005992146
_cell_length_a 4.46874
_cell_length_b 8.67796
_cell_length_c 9.81548
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.92035
_cell_volume 367.80642
_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 0.80392 0.60785 0.75000 1.00000
Pr2 Pr 0.19608 0.39215 0.25000 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Pr4 Pr 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.44989 0.89977 0.75000 1.00000
Zn2 Zn 0.55011 0.10023 0.25000 1.00000
Ag1 Ag 0.19101 0.38201 0.89245 1.00000
Ag2 Ag 0.80899 0.61799 0.10755 1.00000
Ag3 Ag 0.19101 0.38201 0.60755 1.00000
Ag4 Ag 0.80899 0.61799 0.39245 1.00000
Ag5 Ag 0.35933 0.71867 0.96697 1.00000
Ag6 Ag 0.64067 0.28133 0.03303 1.00000
Ag7 Ag 0.35933 0.71867 0.53303 1.00000
Ag8 Ag 0.64067 0.28133 0.46697 1.00000
Ag9 Ag 0.60365 0.20730 0.75000 1.00000
Ag10 Ag 0.39635 0.79270 0.25000 1.00000
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