Pu5(TiMn)2
Alexandria ALEXAlex-ID: agm009674440 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_700_spg2
TiMn Pu
2024-04-20 08:34:39.319895
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009674440).
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 agm009674440
data_agm009674440
_cell_length_a 7.35189
_cell_length_b 7.35189
_cell_length_c 7.41354
_cell_angle_alpha 76.90444
_cell_angle_beta 76.90444
_cell_angle_gamma 25.41317
_cell_volume 167.25678
_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 0.63903 0.63903 0.03005 1.00000
Pu2 Pu 0.36097 0.36097 0.96995 1.00000
Pu3 Pu 0.75437 0.75437 0.32236 1.00000
Pu4 Pu 0.24563 0.24563 0.67764 1.00000
Pu5 Pu 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.55485 0.55485 0.64148 1.00000
Ti2 Ti 0.44515 0.44515 0.35852 1.00000
Mn1 Mn 0.91108 0.91108 0.63844 1.00000
Mn2 Mn 0.08892 0.08892 0.36156 1.00000
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