Pm8Sm3Tm2
Alexandria ALEXAlex-ID: agm003357134 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_150_spg65
Pm2Sm3Tm Pm PmTm2
2022-02-03 10:13:24.633797
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003357134).
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 agm003357134
data_agm003357134
_cell_length_a 5.76633
_cell_length_b 7.74544
_cell_length_c 10.85530
_cell_angle_alpha 110.90126
_cell_angle_beta 90.03682
_cell_angle_gamma 90.00000
_cell_volume 452.92417
_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 0.00060 0.67414 0.34828 1.00000
Pm2 Pm 0.99940 0.32586 0.65172 1.00000
Pm3 Pm 0.99961 0.13383 0.26765 1.00000
Pm4 Pm 0.00039 0.86617 0.73235 1.00000
Pm5 Pm 0.49992 0.59916 0.78367 1.00000
Pm6 Pm 0.49992 0.18451 0.78367 1.00000
Pm7 Pm 0.50008 0.81549 0.21633 1.00000
Pm8 Pm 0.50008 0.40084 0.21633 1.00000
Sm1 Sm 0.50000 0.00000 0.00000 1.00000
Sm2 Sm 1.00000 0.28858 1.00000 1.00000
Sm3 Sm 0.00000 0.71142 0.00000 1.00000
Tm1 Tm 0.49921 0.24060 0.48119 1.00000
Tm2 Tm 0.50079 0.75940 0.51881 1.00000
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