PuZrSb
Alexandria ALEXAlex-ID: agm003609751 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1943_spg63
Zr2Sb Pu4Sb3 Pu
2022-03-15 16:18:58.265753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003609751).
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 agm003609751
data_agm003609751
_cell_length_a 4.77277
_cell_length_b 4.12722
_cell_length_c 7.77248
_cell_angle_alpha 74.62238
_cell_angle_beta 89.99671
_cell_angle_gamma 90.00177
_cell_volume 147.62320
_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 0.11027 0.55322 0.69451 1.00000
Pu2 Pu 0.61027 0.69200 0.41816 1.00000
Zr1 Zr 0.11027 0.87950 0.04260 1.00000
Zr2 Zr 0.61027 0.36574 0.07003 1.00000
Sb1 Sb 0.11027 0.23419 0.33341 1.00000
Sb2 Sb 0.61027 0.01104 0.77923 1.00000
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