Sr4Pu4Mn3
Alexandria ALEXAlex-ID: agm009235124 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_46_spg6
Sr Pu Mn
2024-03-17 19:35:09.402618
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009235124).
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 agm009235124
data_agm009235124
_cell_length_a 4.27366
_cell_length_b 6.78094
_cell_length_c 12.06421
_cell_angle_alpha 83.52177
_cell_angle_beta 96.41965
_cell_angle_gamma 89.38629
_cell_volume 345.10709
_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 0.46251 0.27609 0.38059 1.00000
Sr2 Sr 0.53749 0.72391 0.61941 1.00000
Sr3 Sr 0.06323 0.20840 0.70086 1.00000
Sr4 Sr 0.93677 0.79160 0.29914 1.00000
Pu1 Pu 0.44088 0.11817 0.10503 1.00000
Pu2 Pu 0.70541 0.41520 0.91543 1.00000
Pu3 Pu 0.29459 0.58480 0.08457 1.00000
Pu4 Pu 0.55912 0.88183 0.89497 1.00000
Mn1 Mn 0.88723 0.24226 0.15759 1.00000
Mn2 Mn 0.11277 0.75774 0.84241 1.00000
Mn3 Mn 0.00000 0.00000 0.00000 1.00000
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