Pu2Sc(TlTe2)3
Alexandria ALEXAlex-ID: agm004645482 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
PuTlTe2 ScTlTe2
2022-06-29 05:15:12.444509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004645482).
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 agm004645482
data_agm004645482
_cell_length_a 7.66021
_cell_length_b 7.66021
_cell_length_c 8.51846
_cell_angle_alpha 98.63273
_cell_angle_beta 98.63273
_cell_angle_gamma 119.92946
_cell_volume 413.25557
_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 0.33409 0.66591 0.00000 1.00000
Pu2 Pu 0.66591 0.33409 0.00000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.17121 0.82879 0.50000 1.00000
Tl2 Tl 0.82879 0.17121 0.50000 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.93050 0.61074 0.79108 1.00000
Te2 Te 0.75138 0.75138 0.21309 1.00000
Te3 Te 0.06950 0.38926 0.20892 1.00000
Te4 Te 0.61074 0.93050 0.79108 1.00000
Te5 Te 0.24862 0.24862 0.78691 1.00000
Te6 Te 0.38926 0.06950 0.20892 1.00000
Get direct link