Pm4AlSn2
Alexandria ALEXAlex-ID: agm003458643 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_152_spg166
PmAl Pm5Sn3 PmAl2
2022-02-16 01:08:59.609686
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458643).
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 agm003458643
data_agm003458643
_cell_length_a 5.02566
_cell_length_b 5.02566
_cell_length_c 10.87672
_cell_angle_alpha 76.64238
_cell_angle_beta 76.64238
_cell_angle_gamma 60.00000
_cell_volume 229.28945
_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
Pm1 Pm 0.70346 0.70346 0.88962 1.00000
Pm2 Pm 0.87619 0.87619 0.37144 1.00000
Pm3 Pm 0.29654 0.29654 0.11038 1.00000
Pm4 Pm 0.12381 0.12381 0.62856 1.00000
Al1 Al 0.50000 0.50000 0.50000 1.00000
Sn1 Sn 0.59493 0.59493 0.21522 1.00000
Sn2 Sn 0.40507 0.40507 0.78478 1.00000
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