CePu3Tc2
Alexandria ALEXAlex-ID: agm005689166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_3072_spg12
Pu CeTc2
2023-08-25 09:38:28.955950
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689166).
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 agm005689166
data_agm005689166
_cell_length_a 5.21508
_cell_length_b 7.24260
_cell_length_c 7.24260
_cell_angle_alpha 104.27993
_cell_angle_beta 80.86225
_cell_angle_gamma 80.86223
_cell_volume 256.07708
_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
Ce1 Ce 0.05965 0.33455 0.33455 1.00000
Ce2 Ce 0.94035 0.66545 0.66545 1.00000
Pu1 Pu 0.68743 0.61966 0.02251 1.00000
Pu2 Pu 0.68743 0.02251 0.61966 1.00000
Pu3 Pu 0.31257 0.38034 0.97749 1.00000
Pu4 Pu 0.73282 0.12812 0.12812 1.00000
Pu5 Pu 0.26718 0.87188 0.87188 1.00000
Pu6 Pu 0.31257 0.97749 0.38034 1.00000
Tc1 Tc 0.50000 0.60805 0.39195 1.00000
Tc2 Tc 1.00000 0.74811 0.25189 1.00000
Tc3 Tc 0.00000 0.25189 0.74811 1.00000
Tc4 Tc 0.50000 0.39195 0.60805 1.00000
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