Pu2MnC4
Alexandria ALEXAlex-ID: agm096138110 · Space group: Pmm2 (#25)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_344_spg2
Pu(MnC)2 C Pu3C2
2025-04-10 15:52:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096138110).
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 agm096138110
data_agm096138110
_cell_length_a 3.39590
_cell_length_b 4.54353
_cell_length_c 6.25211
_cell_angle_alpha 89.96397
_cell_angle_beta 90.07580
_cell_angle_gamma 90.00056
_cell_volume 96.46598
_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 0.00084 0.99962 0.15147 1.00000
Pu2 Pu 0.49961 0.00028 0.63628 1.00000
Mn1 Mn 0.00014 0.49994 0.80651 1.00000
C1 C 0.50052 0.65674 0.96003 1.00000
C2 C 0.99918 0.64715 0.49285 1.00000
C3 C 0.99919 0.35337 0.49260 1.00000
C4 C 0.50052 0.34289 0.96026 1.00000
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