SrPu2SnN4
Alexandria ALEXAlex-ID: agm004777366 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_665_spg63
SrN2 SrSn3 Pu2N3 Sr3Sn5
2022-07-18 12:42:33.895101
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004777366).
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
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# CIF generated by HEAS from Alexandria entry agm004777366
data_agm004777366
_cell_length_a 3.55097
_cell_length_b 6.33052
_cell_length_c 12.23947
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.28793
_cell_volume 264.09426
_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
Sr1 Sr 0.10492 0.20984 0.75000 1.00000
Sr2 Sr 0.89508 0.79016 0.25000 1.00000
Pu1 Pu 0.37110 0.74220 0.53532 1.00000
Pu2 Pu 0.62890 0.25780 0.03532 1.00000
Pu3 Pu 0.62890 0.25780 0.46468 1.00000
Pu4 Pu 0.37110 0.74220 0.96468 1.00000
Sn1 Sn 0.84074 0.68148 0.75000 1.00000
Sn2 Sn 0.15926 0.31852 0.25000 1.00000
N1 N 0.26252 0.52504 0.11357 1.00000
N2 N 0.73748 0.47496 0.61357 1.00000
N3 N 0.73748 0.47496 0.88643 1.00000
N4 N 0.26252 0.52504 0.38643 1.00000
N5 N 0.00000 0.00000 0.50000 1.00000
N6 N 0.00000 0.00000 0.00000 1.00000
N7 N 0.43905 0.87810 0.75000 1.00000
N8 N 0.56095 0.12190 0.25000 1.00000
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