Pu2Mn4Cr3
Alexandria ALEXAlex-ID: agm012778435 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_67_spg8
MnCr15 Pu Mn
2024-07-08 21:44:05.209057
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012778435).
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 agm012778435
data_agm012778435
_cell_length_a 4.77305
_cell_length_b 4.83992
_cell_length_c 5.58602
_cell_angle_alpha 100.53822
_cell_angle_beta 87.92869
_cell_angle_gamma 96.92640
_cell_volume 125.92819
_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 0.21526 0.84912 0.55243 1.00000
Pu2 Pu 0.78474 0.15088 0.44757 1.00000
Mn1 Mn 0.14888 0.43776 0.81772 1.00000
Mn2 Mn 0.67027 0.64211 0.69422 1.00000
Mn3 Mn 0.32973 0.35789 0.30578 1.00000
Mn4 Mn 0.85112 0.56224 0.18228 1.00000
Cr1 Cr 0.42539 0.78085 0.07779 1.00000
Cr2 Cr 0.00000 0.00000 0.00000 1.00000
Cr3 Cr 0.57461 0.21915 0.92221 1.00000
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