PuSc2(AgSe2)3
Alexandria ALEXAlex-ID: agm004635882 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Sc2Se3 PuSe2 Ag2Se Ag
2022-06-29 01:13:43.440002
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635882).
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 agm004635882
data_agm004635882
_cell_length_a 7.04809
_cell_length_b 7.04809
_cell_length_c 6.85390
_cell_angle_alpha 99.71853
_cell_angle_beta 99.71853
_cell_angle_gamma 120.16626
_cell_volume 276.98788
_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
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.33159 0.66841 0.00000 1.00000
Sc2 Sc 0.66841 0.33159 0.00000 1.00000
Ag1 Ag 0.15821 0.84179 0.50000 1.00000
Ag2 Ag 0.84179 0.15821 0.50000 1.00000
Ag3 Ag 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.92221 0.57171 0.76276 1.00000
Se2 Se 0.72776 0.72776 0.23767 1.00000
Se3 Se 0.07779 0.42829 0.23724 1.00000
Se4 Se 0.57171 0.92221 0.76276 1.00000
Se5 Se 0.27224 0.27224 0.76233 1.00000
Se6 Se 0.42829 0.07779 0.23724 1.00000
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