Pm2Sm2Th2Mg
Alexandria ALEXAlex-ID: agm017607812 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_117_spg119
SmTh4 PmSmMg2 PmSm2 Pm
2025-05-19 18:24:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017607812).
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 agm017607812
data_agm017607812
_cell_length_a 3.63044
_cell_length_b 3.63044
_cell_length_c 17.21649
_cell_angle_alpha 83.92650
_cell_angle_beta 96.07350
_cell_angle_gamma 89.95692
_cell_volume 224.35854
_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 0.43339 0.56661 0.86658 1.00000
Pm2 Pm 0.56661 0.43339 0.13342 1.00000
Sm1 Sm 0.29060 0.70940 0.58208 1.00000
Sm2 Sm 0.70940 0.29060 0.41792 1.00000
Th1 Th 0.13807 0.86193 0.27615 1.00000
Th2 Th 0.86193 0.13807 0.72385 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
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