Nd5PuSb5
Alexandria ALEXAlex-ID: agm003674046 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_41_spg12
Pu NdSb
2022-04-09 16:50:39.211828
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003674046).
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 agm003674046
data_agm003674046
_cell_length_a 6.32966
_cell_length_b 7.75205
_cell_length_c 8.92771
_cell_angle_alpha 106.83889
_cell_angle_beta 90.00000
_cell_angle_gamma 114.09541
_cell_volume 379.22486
_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
Nd1 Nd 0.67035 0.34071 0.33255 1.00000
Nd2 Nd 0.66672 0.33344 0.83438 1.00000
Nd3 Nd 0.00000 0.00000 0.50000 1.00000
Nd4 Nd 0.33328 0.66656 0.16562 1.00000
Nd5 Nd 0.32965 0.65929 0.66745 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.83499 0.66999 0.16620 1.00000
Sb2 Sb 0.83516 0.67032 0.66847 1.00000
Sb3 Sb 0.50000 0.00000 0.00000 1.00000
Sb4 Sb 0.16484 0.32968 0.33153 1.00000
Sb5 Sb 0.16501 0.33001 0.83380 1.00000
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