PuZnInSb3
Alexandria ALEXAlex-ID: agm050802222 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_1157_spg12
PuZnSb2 InSb
2024-09-13 12:42:20.630256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050802222).
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 agm050802222
data_agm050802222
_cell_length_a 4.37518
_cell_length_b 6.23495
_cell_length_c 14.67820
_cell_angle_alpha 119.97434
_cell_angle_beta 91.91791
_cell_angle_gamma 71.17453
_cell_volume 324.28772
_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 0.33109 0.67357 0.69118 1.00000
Pu2 Pu 0.66891 0.32643 0.30882 1.00000
Zn1 Zn 0.12017 0.30916 0.85823 1.00000
Zn2 Zn 0.87983 0.69084 0.14177 1.00000
In1 In 0.26896 0.18984 0.44852 1.00000
In2 In 0.73104 0.81016 0.55148 1.00000
Sb1 Sb 0.70971 0.01257 0.86862 1.00000
Sb2 Sb 0.29029 0.98743 0.13138 1.00000
Sb3 Sb 0.03431 0.22306 0.65667 1.00000
Sb4 Sb 0.96569 0.77694 0.34333 1.00000
Sb5 Sb 0.49563 0.62892 0.89950 1.00000
Sb6 Sb 0.50437 0.37108 0.10050 1.00000
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