Pm3Mg7Sn4
Alexandria ALEXAlex-ID: agm005698537 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
PmMgSn Mg2Sn Mg
2023-06-29 16:55:12.558399
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698537).
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 agm005698537
data_agm005698537
_cell_length_a 4.60963
_cell_length_b 8.92146
_cell_length_c 9.52008
_cell_angle_alpha 72.48757
_cell_angle_beta 75.98945
_cell_angle_gamma 75.02811
_cell_volume 354.90270
_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 0.30858 0.18311 0.19974 1.00000
Pm2 Pm 0.69142 0.81689 0.80026 1.00000
Pm3 Pm 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.32160 0.83822 0.51858 1.00000
Mg2 Mg 0.48699 0.20593 0.82008 1.00000
Mg3 Mg 0.84010 0.38314 0.93665 1.00000
Mg4 Mg 0.67840 0.16178 0.48142 1.00000
Mg5 Mg 0.15990 0.61686 0.06335 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.51301 0.79407 0.17992 1.00000
Sn1 Sn 0.65273 0.44987 0.24466 1.00000
Sn2 Sn 0.34727 0.55013 0.75534 1.00000
Sn3 Sn 0.88389 0.89829 0.33393 1.00000
Sn4 Sn 0.11611 0.10171 0.66607 1.00000
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