Sm2Pu3PaAs6
Alexandria ALEXAlex-ID: agm048522983 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Pu5PaAs6 Sm5PaAs6
2025-01-02 04:31:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048522983).
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 agm048522983
data_agm048522983
_cell_length_a 7.21034
_cell_length_b 7.21034
_cell_length_c 7.18680
_cell_angle_alpha 80.36111
_cell_angle_beta 99.63889
_cell_angle_gamma 60.08078
_cell_volume 305.18931
_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 0.33414 0.33414 0.00000 1.00000
Sm2 Sm 0.66586 0.66586 0.00000 1.00000
Pu1 Pu 0.16901 0.16901 0.50000 1.00000
Pu2 Pu 0.83099 0.83099 0.50000 1.00000
Pu3 Pu 0.50000 0.50000 0.50000 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
As1 As 0.40894 0.91748 0.25062 1.00000
As2 As 0.24000 0.76000 0.74871 1.00000
As3 As 0.59106 0.08252 0.74938 1.00000
As4 As 0.08252 0.59106 0.25062 1.00000
As5 As 0.76000 0.24000 0.25129 1.00000
As6 As 0.91748 0.40894 0.74938 1.00000
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