Pm5Sm4Sc
Alexandria ALEXAlex-ID: agm003647682 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Pm PmSm2 Sc
2022-04-08 02:11:57.694897
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003647682).
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 agm003647682
data_agm003647682
_cell_length_a 6.04922
_cell_length_b 8.06262
_cell_length_c 8.06262
_cell_angle_alpha 81.90991
_cell_angle_beta 67.96703
_cell_angle_gamma 67.96703
_cell_volume 337.89485
_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 0.78385 0.37158 0.00008 1.00000
Pm2 Pm 0.15543 0.00008 0.62842 1.00000
Pm3 Pm 0.78393 0.99992 0.37158 1.00000
Pm4 Pm 0.15551 0.62842 0.99992 1.00000
Pm5 Pm 0.67483 0.00000 0.00000 1.00000
Sm1 Sm 0.43626 0.32288 0.67703 1.00000
Sm2 Sm 0.75915 0.67703 0.67712 1.00000
Sm3 Sm 0.11329 0.32297 0.32288 1.00000
Sm4 Sm 0.43618 0.67712 0.32297 1.00000
Sc1 Sc 0.21186 0.00000 0.00000 1.00000
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