Ca(PrSn)3
Alexandria ALEXAlex-ID: agm003544643 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_316_spg12
Ca(PrSn)2 PrSn
2022-03-23 08:49:28.359678
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003544643).
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 agm003544643
data_agm003544643
_cell_length_a 8.08056
_cell_length_b 8.08056
_cell_length_c 7.90970
_cell_angle_alpha 88.19119
_cell_angle_beta 88.19119
_cell_angle_gamma 110.62200
_cell_volume 482.63012
_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
Ca1 Ca 0.71496 0.71496 0.89855 1.00000
Ca2 Ca 0.28504 0.28504 0.10145 1.00000
Pr1 Pr 0.62979 0.62979 0.36142 1.00000
Pr2 Pr 0.14774 0.85226 0.50000 1.00000
Pr3 Pr 0.85226 0.14774 0.50000 1.00000
Pr4 Pr 0.22347 0.77653 0.00000 1.00000
Pr5 Pr 0.77653 0.22347 0.00000 1.00000
Pr6 Pr 0.37021 0.37021 0.63858 1.00000
Sn1 Sn 0.93914 0.93914 0.18218 1.00000
Sn2 Sn 0.85032 0.49470 0.67089 1.00000
Sn3 Sn 0.49470 0.85032 0.67089 1.00000
Sn4 Sn 0.14968 0.50530 0.32911 1.00000
Sn5 Sn 0.50530 0.14968 0.32911 1.00000
Sn6 Sn 0.06086 0.06086 0.81782 1.00000
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