Pu4Tl(Si2Pd)2
Alexandria ALEXAlex-ID: agm020173789 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D4_13_spg12
Pu2Si2Pd Tl
2024-09-25 05:00:50.626770
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020173789).
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 agm020173789
data_agm020173789
_cell_length_a 8.10587
_cell_length_b 8.10587
_cell_length_c 7.06058
_cell_angle_alpha 74.07757
_cell_angle_beta 74.07757
_cell_angle_gamma 30.42230
_cell_volume 225.21984
_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 0.34396 0.34396 0.93053 1.00000
Pu2 Pu 0.65604 0.65604 0.06947 1.00000
Pu3 Pu 0.42242 0.42242 0.36873 1.00000
Pu4 Pu 0.57758 0.57758 0.63127 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.06414 0.06414 0.35241 1.00000
Si2 Si 0.93586 0.93586 0.64759 1.00000
Si3 Si 0.19915 0.19915 0.74405 1.00000
Si4 Si 0.80085 0.80085 0.25595 1.00000
Pd1 Pd 0.21928 0.21928 0.37868 1.00000
Pd2 Pd 0.78072 0.78072 0.62132 1.00000
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