Pr2Y4Sn3O2
Alexandria ALEXAlex-ID: agm004489264 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_0_spg139
Y5Sn3 Pr3Y2Sn3 Pr2Y3Sn4 Y2O3
2022-06-18 06:19:19.893960
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004489264).
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 agm004489264
data_agm004489264
_cell_length_a 4.68895
_cell_length_b 4.68895
_cell_length_c 13.22937
_cell_angle_alpha 100.20773
_cell_angle_beta 100.20773
_cell_angle_gamma 90.00000
_cell_volume 281.58172
_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 0.30492 0.30492 0.60984 1.00000
Pr2 Pr 0.69508 0.69508 0.39016 1.00000
Y1 Y 0.41844 0.91844 0.83688 1.00000
Y2 Y 0.91844 0.41844 0.83688 1.00000
Y3 Y 0.08156 0.58156 0.16312 1.00000
Y4 Y 0.58156 0.08156 0.16312 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.17405 0.17405 0.34811 1.00000
Sn3 Sn 0.82595 0.82595 0.65189 1.00000
O1 O 0.40743 0.40743 0.81485 1.00000
O2 O 0.59257 0.59257 0.18515 1.00000
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