Pu4Te2I3
Alexandria ALEXAlex-ID: agm005693886 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Pu2TeI2 PuTe Pu
2023-06-29 04:55:06.986196
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693886).
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
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# CIF generated by HEAS from Alexandria entry agm005693886
data_agm005693886
_cell_length_a 4.43125
_cell_length_b 4.43125
_cell_length_c 18.37698
_cell_angle_alpha 90.04658
_cell_angle_beta 89.95342
_cell_angle_gamma 120.00169
_cell_volume 312.49990
_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 0.33359 0.66641 0.89962 1.00000
Pu2 Pu 0.99927 0.00073 0.29472 1.00000
Pu3 Pu 0.00073 0.99927 0.70528 1.00000
Pu4 Pu 0.66641 0.33359 0.10038 1.00000
Te1 Te 0.66716 0.33284 0.80287 1.00000
Te2 Te 0.33284 0.66716 0.19713 1.00000
I1 I 0.66570 0.33430 0.39821 1.00000
I2 I 0.00000 0.00000 0.00000 1.00000
I3 I 0.33430 0.66570 0.60179 1.00000
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