Pr3(Zn2Sn)2
Alexandria ALEXAlex-ID: agm005604677 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
PrZnSn PrZn2
2023-06-29 08:08:25.291402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604677).
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 agm005604677
data_agm005604677
_cell_length_a 4.60802
_cell_length_b 6.13748
_cell_length_c 8.86914
_cell_angle_alpha 107.33368
_cell_angle_beta 90.00002
_cell_angle_gamma 112.04901
_cell_volume 220.14989
_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 0.66865 0.33731 0.66760 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.33135 0.66269 0.33240 1.00000
Zn1 Zn 0.74281 0.48563 0.06155 1.00000
Zn2 Zn 0.25719 0.51437 0.93845 1.00000
Zn3 Zn 0.97379 0.94758 0.62874 1.00000
Zn4 Zn 0.02621 0.05242 0.37126 1.00000
Sn1 Sn 0.61280 0.22559 0.27659 1.00000
Sn2 Sn 0.38720 0.77441 0.72341 1.00000
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