SrPr3Sm2
Alexandria ALEXAlex-ID: agm017703957 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1770_spg63
PrSm4 Sr Pr
2025-04-14 08:50:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017703957).
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 agm017703957
data_agm017703957
_cell_length_a 9.94973
_cell_length_b 9.94973
_cell_length_c 6.45966
_cell_angle_alpha 89.93462
_cell_angle_beta 90.06538
_cell_angle_gamma 135.45924
_cell_volume 448.54751
_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
Sr1 Sr 0.87300 0.87300 0.75000 1.00000
Sr2 Sr 0.12700 0.12700 0.25000 1.00000
Pr1 Pr 0.61199 0.61199 0.25000 1.00000
Pr2 Pr 0.38801 0.38801 0.75000 1.00000
Pr3 Pr 0.04280 0.69562 0.41057 1.00000
Pr4 Pr 0.69562 0.04280 0.08943 1.00000
Pr5 Pr 0.30438 0.95720 0.91057 1.00000
Pr6 Pr 0.95720 0.30438 0.58943 1.00000
Sm1 Sm 0.78896 0.45181 0.92466 1.00000
Sm2 Sm 0.54819 0.21104 0.42466 1.00000
Sm3 Sm 0.45181 0.78896 0.57534 1.00000
Sm4 Sm 0.21104 0.54819 0.07534 1.00000
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