LaSm2(PuSe2)3
Alexandria ALEXAlex-ID: agm033142247 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_456_spg12
SmPuSe2 Sm3Pu5Se8 La3PuSe4
2024-12-06 05:56:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033142247).
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 agm033142247
data_agm033142247
_cell_length_a 9.36282
_cell_length_b 9.36282
_cell_length_c 8.38596
_cell_angle_alpha 76.70208
_cell_angle_beta 103.29792
_cell_angle_gamma 154.24951
_cell_volume 310.36342
_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
La1 La 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.83223 0.16777 0.16501 1.00000
Sm2 Sm 0.16777 0.83223 0.83499 1.00000
Pu1 Pu 0.50000 0.50000 0.00000 1.00000
Pu2 Pu 0.83425 0.16575 0.66760 1.00000
Pu3 Pu 0.16575 0.83425 0.33240 1.00000
Se1 Se 0.32989 0.67011 0.41654 1.00000
Se2 Se 0.66565 0.33435 0.08505 1.00000
Se3 Se 0.67011 0.32989 0.58346 1.00000
Se4 Se 0.00029 0.99971 0.75886 1.00000
Se5 Se 0.99971 0.00029 0.24114 1.00000
Se6 Se 0.33435 0.66565 0.91495 1.00000
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