Sm3(PuTc2)2
Alexandria ALEXAlex-ID: agm005669286 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_361_spg12
Sm2PuTc2 Tc Pu
2023-06-29 04:22:18.027818
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669286).
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 agm005669286
data_agm005669286
_cell_length_a 4.29741
_cell_length_b 5.97146
_cell_length_c 8.85007
_cell_angle_alpha 101.25773
_cell_angle_beta 90.00002
_cell_angle_gamma 111.08973
_cell_volume 207.20635
_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 0.37544 0.75088 0.61570 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.62456 0.24912 0.38430 1.00000
Pu1 Pu 0.32961 0.65922 0.22269 1.00000
Pu2 Pu 0.67039 0.34078 0.77731 1.00000
Tc1 Tc 0.72932 0.45864 0.09307 1.00000
Tc2 Tc 0.08673 0.17347 0.63523 1.00000
Tc3 Tc 0.91327 0.82653 0.36477 1.00000
Tc4 Tc 0.27068 0.54136 0.90693 1.00000
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