PuCoSn
Alexandria ALEXAlex-ID: agm005641391 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1006_spg71
PuCoSn
2023-06-17 06:06:28.899600
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641391).
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 agm005641391
data_agm005641391
_cell_length_a 3.94364
_cell_length_b 5.98572
_cell_length_c 6.35717
_cell_angle_alpha 118.08527
_cell_angle_beta 108.06963
_cell_angle_gamma 90.00000
_cell_volume 123.94198
_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 0.28366 0.28366 0.56731 1.00000
Pu2 Pu 0.71634 0.71634 0.43269 1.00000
Co1 Co 0.61113 0.11113 0.22226 1.00000
Co2 Co 0.38887 0.88887 0.77774 1.00000
Sn1 Sn 0.00000 0.25221 0.00000 1.00000
Sn2 Sn 1.00000 0.74779 1.00000 1.00000
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