Pu4GaTc
Alexandria ALEXAlex-ID: agm005752823 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1206_spg12
PuGaTc Pu
2023-07-28 11:19:57.474059
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752823).
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 agm005752823
data_agm005752823
_cell_length_a 5.07991
_cell_length_b 5.59637
_cell_length_c 5.38187
_cell_angle_alpha 85.48187
_cell_angle_beta 61.87706
_cell_angle_gamma 116.84782
_cell_volume 111.81753
_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 0.24503 0.12802 0.63146 1.00000
Pu2 Pu 0.75118 0.87734 0.37118 1.00000
Pu3 Pu 0.78701 0.59960 0.02180 1.00000
Pu4 Pu 0.20932 0.40586 0.98076 1.00000
Ga1 Ga 0.49812 0.00275 0.00132 1.00000
Tc1 Tc 0.99816 0.50271 0.50126 1.00000
Get direct link