Ac(Pr3Sn2)2
Alexandria ALEXAlex-ID: agm003661727 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
Pr5Sn3 Ac2Pr3Sn4 Ac
2022-04-08 13:26:11.159093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661727).
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 agm003661727
data_agm003661727
_cell_length_a 8.39571
_cell_length_b 8.39571
_cell_length_c 8.39571
_cell_angle_alpha 89.15672
_cell_angle_beta 120.48806
_cell_angle_gamma 120.48806
_cell_volume 415.32744
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.00000 0.82536 0.51405 1.00000
Pr2 Pr 0.00000 0.51405 0.82536 1.00000
Pr3 Pr 0.68870 0.17464 0.17464 1.00000
Pr4 Pr 0.50000 0.00000 0.50000 1.00000
Pr5 Pr 0.31130 0.48595 0.48595 1.00000
Pr6 Pr 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.00000 0.18477 0.62274 1.00000
Sn2 Sn 0.56203 0.37726 0.37726 1.00000
Sn3 Sn 0.00000 0.62274 0.18477 1.00000
Sn4 Sn 0.43797 0.81523 0.81523 1.00000
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