Pu2MnCo2B2Ru3
Alexandria ALEXAlex-ID: agm010767971 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E3_0_spg55
PuCoRu Pu2MnB2Ru5 Pu2Co7B3 MnB
2024-05-28 09:54:49.910217
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010767971).
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 agm010767971
data_agm010767971
_cell_length_a 3.04264
_cell_length_b 9.68665
_cell_length_c 9.21266
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 271.52471
_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 0.00000 0.82517 0.31905 1.00000
Pu2 Pu 0.00000 0.17483 0.68095 1.00000
Pu3 Pu 0.00000 0.32517 0.18095 1.00000
Pu4 Pu 0.00000 0.67483 0.81905 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.00000 0.50000 0.50000 1.00000
Co1 Co 0.50000 0.92654 0.78143 1.00000
Co2 Co 0.50000 0.07346 0.21857 1.00000
Co3 Co 0.50000 0.42654 0.71857 1.00000
Co4 Co 0.50000 0.57346 0.28143 1.00000
B1 B 0.00000 0.38298 0.86710 1.00000
B2 B 0.00000 0.61702 0.13290 1.00000
B3 B 0.00000 0.88298 0.63290 1.00000
B4 B 0.00000 0.11702 0.36710 1.00000
Ru1 Ru 0.50000 0.22051 0.93168 1.00000
Ru2 Ru 0.50000 0.77949 0.06832 1.00000
Ru3 Ru 0.50000 0.27949 0.43168 1.00000
Ru4 Ru 0.50000 0.72051 0.56832 1.00000
Ru5 Ru 0.50000 0.00000 0.50000 1.00000
Ru6 Ru 0.50000 0.50000 0.00000 1.00000
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