SmPuOs
Alexandria ALEXAlex-ID: agm005652288 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_11123_spg12
Sm2PuOs2 Pu
2023-06-18 13:59:34.344615
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652288).
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 agm005652288
data_agm005652288
_cell_length_a 4.07629
_cell_length_b 8.68498
_cell_length_c 9.03895
_cell_angle_alpha 101.21662
_cell_angle_beta 90.00000
_cell_angle_gamma 103.57245
_cell_volume 304.77315
_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
Sm1 Sm 0.97428 0.94856 0.29318 1.00000
Sm2 Sm 0.63608 0.27215 0.19059 1.00000
Sm3 Sm 0.36392 0.72785 0.80941 1.00000
Sm4 Sm 0.02572 0.05144 0.70682 1.00000
Pu1 Pu 0.81259 0.62517 0.47345 1.00000
Pu2 Pu 0.18916 0.37831 0.93681 1.00000
Pu3 Pu 0.18741 0.37483 0.52655 1.00000
Pu4 Pu 0.81084 0.62169 0.06319 1.00000
Os1 Os 0.57718 0.15436 0.48096 1.00000
Os2 Os 0.29854 0.59707 0.25752 1.00000
Os3 Os 0.42282 0.84564 0.51904 1.00000
Os4 Os 0.70146 0.40293 0.74248 1.00000
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