Pu3(ScTi)2
Alexandria ALEXAlex-ID: agm009452004 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_101_spg12
Pu Sc Ti
2024-03-07 19:50:37.969384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009452004).
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 agm009452004
data_agm009452004
_cell_length_a 3.18158
_cell_length_b 6.63178
_cell_length_c 8.59505
_cell_angle_alpha 100.26926
_cell_angle_beta 111.69623
_cell_angle_gamma 103.86469
_cell_volume 156.27247
_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 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.54190 0.30562 0.39024 1.00000
Pu3 Pu 0.45810 0.69438 0.60976 1.00000
Sc1 Sc 0.29607 0.18056 0.70572 1.00000
Sc2 Sc 0.70393 0.81944 0.29428 1.00000
Ti1 Ti 0.80805 0.41060 0.10300 1.00000
Ti2 Ti 0.19195 0.58940 0.89700 1.00000
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