PmSm5
Alexandria ALEXAlex-ID: agm090136201 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_203_spg10
PmSm2 Sm
2025-04-14 12:24:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090136201).
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
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# CIF generated by HEAS from Alexandria entry agm090136201
data_agm090136201
_cell_length_a 6.28993
_cell_length_b 3.63165
_cell_length_c 8.90730
_cell_angle_alpha 90.00000
_cell_angle_beta 90.08698
_cell_angle_gamma 90.00000
_cell_volume 203.46775
_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 0.50000 0.00000 0.50000 1.00000
Sm1 Sm 0.33338 0.50000 0.16642 1.00000
Sm2 Sm 0.66662 0.50000 0.83358 1.00000
Sm3 Sm 0.16653 0.00000 0.83367 1.00000
Sm4 Sm 0.83347 0.00000 0.16633 1.00000
Sm5 Sm 0.00000 0.50000 0.50000 1.00000
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