Pm2Pu2Sc5
Alexandria ALEXAlex-ID: agm009911209 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_485_spg2
Pm Pu Sc
2024-04-06 14:57:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009911209).
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 agm009911209
data_agm009911209
_cell_length_a 5.79423
_cell_length_b 5.79423
_cell_length_c 14.06694
_cell_angle_alpha 66.31999
_cell_angle_beta 66.31999
_cell_angle_gamma 33.74734
_cell_volume 238.13577
_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
Pm1 Pm 0.00112 0.00112 0.66875 1.00000
Pm2 Pm 0.99888 0.99888 0.33125 1.00000
Pu1 Pu 0.33316 0.33316 0.89478 1.00000
Pu2 Pu 0.66684 0.66684 0.10522 1.00000
Sc1 Sc 0.67228 0.67228 0.44126 1.00000
Sc2 Sc 0.32772 0.32772 0.55874 1.00000
Sc3 Sc 0.33282 0.33282 0.21402 1.00000
Sc4 Sc 0.66718 0.66718 0.78598 1.00000
Sc5 Sc 0.00000 0.00000 0.00000 1.00000
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