Ac4NdPu3Se8
Alexandria ALEXAlex-ID: agm004725005 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Ac2PuSe3 NdPu2Se3 AcSe
2023-02-05 08:15:57.212888
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004725005).
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 agm004725005
data_agm004725005
_cell_length_a 8.61447
_cell_length_b 8.67766
_cell_length_c 8.61475
_cell_angle_alpha 119.75823
_cell_angle_beta 119.99896
_cell_angle_gamma 90.00000
_cell_volume 457.02852
_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
Ac1 Ac 0.50000 0.00000 0.00000 1.00000
Ac2 Ac 0.50000 0.00000 0.50000 1.00000
Ac3 Ac 0.00000 0.00000 0.00000 1.00000
Ac4 Ac 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.00000 0.50000 0.00000 1.00000
Pu1 Pu 0.50000 0.50000 0.00000 1.00000
Pu2 Pu 0.50000 0.50000 0.50000 1.00000
Pu3 Pu 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.24527 0.73074 0.98569 1.00000
Se2 Se 0.24518 0.73087 0.49036 1.00000
Se3 Se 0.25740 0.27195 0.51479 1.00000
Se4 Se 0.74042 0.73074 0.98569 1.00000
Se5 Se 0.25958 0.26926 0.01431 1.00000
Se6 Se 0.74260 0.72805 0.48521 1.00000
Se7 Se 0.75482 0.26913 0.50964 1.00000
Se8 Se 0.75473 0.26926 0.01431 1.00000
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