Pu4Zn2Pd5
Alexandria ALEXAlex-ID: agm005661069 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_660_spg72
Pu2Zn3Pd Pu2ZnPd3 Pu
2023-06-22 22:09:39.961071
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661069).
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 agm005661069
data_agm005661069
_cell_length_a 5.45700
_cell_length_b 8.79341
_cell_length_c 10.54042
_cell_angle_alpha 114.65275
_cell_angle_beta 105.00150
_cell_angle_gamma 90.00224
_cell_volume 440.64757
_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 0.93326 0.19958 0.86653 1.00000
Pu2 Pu 0.06674 0.80042 0.13347 1.00000
Pu3 Pu 0.56674 0.33306 0.13347 1.00000
Pu4 Pu 0.43326 0.66694 0.86653 1.00000
Pu5 Pu 0.64790 0.03075 0.29578 1.00000
Pu6 Pu 0.35210 0.96925 0.70422 1.00000
Pu7 Pu 0.85212 0.73497 0.70422 1.00000
Pu8 Pu 0.14788 0.26503 0.29578 1.00000
Zn1 Zn 0.94650 0.69650 0.39300 1.00000
Zn2 Zn 0.55350 0.30350 0.60700 1.00000
Zn3 Zn 0.05350 0.30350 0.60700 1.00000
Zn4 Zn 0.44650 0.69650 0.39300 1.00000
Pd1 Pd 0.25000 0.00000 0.00000 1.00000
Pd2 Pd 0.75000 0.00000 0.00000 1.00000
Pd3 Pd 0.57468 0.66248 0.14937 1.00000
Pd4 Pd 0.42532 0.33752 0.85063 1.00000
Pd5 Pd 0.92531 0.51311 0.85063 1.00000
Pd6 Pd 0.07469 0.48689 0.14937 1.00000
Pd7 Pd 0.78000 0.98194 0.55999 1.00000
Pd8 Pd 0.22000 0.01806 0.44001 1.00000
Pd9 Pd 0.28000 0.57805 0.55999 1.00000
Pd10 Pd 0.72000 0.42195 0.44001 1.00000
