Pr8Sn2Ir
Alexandria ALEXAlex-ID: agm003528811 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_277_spg12
Pr5Sn2Ir Pr
2022-03-17 20:06:04.058780
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003528811).
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 agm003528811
data_agm003528811
_cell_length_a 5.12352
_cell_length_b 7.04811
_cell_length_c 10.32176
_cell_angle_alpha 104.79456
_cell_angle_beta 104.37044
_cell_angle_gamma 90.00000
_cell_volume 348.29766
_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 0.40906 0.53745 0.81812 1.00000
Pr2 Pr 0.64659 0.99745 0.29318 1.00000
Pr3 Pr 0.78325 0.67980 0.56650 1.00000
Pr4 Pr 0.98375 0.21417 0.96749 1.00000
Pr5 Pr 0.21675 0.32020 0.43350 1.00000
Pr6 Pr 0.35341 0.00255 0.70682 1.00000
Pr7 Pr 0.59094 0.46255 0.18188 1.00000
Pr8 Pr 0.01625 0.78583 0.03251 1.00000
Sn1 Sn 0.81980 0.24996 0.63960 1.00000
Sn2 Sn 0.18020 0.75004 0.36040 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
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