La2PuSe3
Alexandria ALEXAlex-ID: agm005647060 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
La3PuSe4 PuSe
2023-08-24 21:39:08.809980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647060).
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 agm005647060
data_agm005647060
_cell_length_a 7.38612
_cell_length_b 7.38612
_cell_length_c 13.46066
_cell_angle_alpha 100.56704
_cell_angle_beta 100.56703
_cell_angle_gamma 109.36507
_cell_volume 657.01669
_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 0.99884 0.49884 0.99767 1.00000
La2 La 0.41772 0.41772 0.83545 1.00000
La3 La 0.83228 0.33228 0.66455 1.00000
La4 La 0.25116 0.25116 0.50233 1.00000
La5 La 0.74884 0.74884 0.49767 1.00000
La6 La 0.66772 0.16772 0.33545 1.00000
La7 La 0.58228 0.58228 0.16455 1.00000
La8 La 0.50116 0.00116 0.00233 1.00000
Pu1 Pu 0.91665 0.91665 0.83329 1.00000
Pu2 Pu 0.33335 0.83335 0.66671 1.00000
Pu3 Pu 0.16665 0.66665 0.33329 1.00000
Pu4 Pu 0.08335 0.08335 0.16671 1.00000
Se1 Se 0.16542 0.67404 0.82978 1.00000
Se2 Se 0.66436 0.15574 0.82978 1.00000
Se3 Se 0.08458 0.07596 0.67022 1.00000
Se4 Se 0.58564 0.59426 0.67022 1.00000
Se5 Se 0.00983 0.50983 0.50000 1.00000
Se6 Se 0.49017 0.99017 0.50000 1.00000
Se7 Se 0.40574 0.41436 0.32978 1.00000
Se8 Se 0.92404 0.91542 0.32978 1.00000
Se9 Se 0.84426 0.33564 0.17022 1.00000
Se10 Se 0.32596 0.83458 0.17022 1.00000
Se11 Se 0.24017 0.24017 1.00000 1.00000
Se12 Se 0.75983 0.75983 0.00000 1.00000
