Pr4Ho2Sn3O2
Alexandria ALEXAlex-ID: agm004489388 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_0_spg139
Pr4Sn3 Pr5Sn3 Pr3Ho2Sn3 Ho2O3
2022-06-18 06:03:43.884547
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004489388).
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 agm004489388
data_agm004489388
_cell_length_a 4.83843
_cell_length_b 4.83843
_cell_length_c 13.20604
_cell_angle_alpha 100.55564
_cell_angle_beta 100.55564
_cell_angle_gamma 90.00000
_cell_volume 298.60404
_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 0.41566 0.91566 0.83132 1.00000
Pr2 Pr 0.91566 0.41566 0.83132 1.00000
Pr3 Pr 0.08434 0.58434 0.16868 1.00000
Pr4 Pr 0.58434 0.08434 0.16868 1.00000
Ho1 Ho 0.30516 0.30516 0.61031 1.00000
Ho2 Ho 0.69484 0.69484 0.38969 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.18083 0.18083 0.36165 1.00000
Sn3 Sn 0.81917 0.81917 0.63835 1.00000
O1 O 0.39191 0.39191 0.78381 1.00000
O2 O 0.60809 0.60809 0.21619 1.00000
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