Ca2Pu3Mn2
Alexandria ALEXAlex-ID: agm010075971 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_251_spg12
Ca Pu Mn
2024-06-24 11:42:18.307707
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010075971).
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 agm010075971
data_agm010075971
_cell_length_a 3.33001
_cell_length_b 7.15348
_cell_length_c 6.84528
_cell_angle_alpha 102.05810
_cell_angle_beta 90.40525
_cell_angle_gamma 89.97047
_cell_volume 159.46085
_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
Ca1 Ca 0.50113 0.24026 0.45608 1.00000
Ca2 Ca 0.49887 0.75974 0.54392 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.49811 0.26272 0.94782 1.00000
Pu3 Pu 0.50189 0.73728 0.05218 1.00000
Mn1 Mn 0.99902 0.48382 0.19320 1.00000
Mn2 Mn 0.00098 0.51618 0.80680 1.00000
Get direct link