Pu4Te3H4
Alexandria ALEXAlex-ID: agm005708835 · Space group: I-43m (#217)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_2_spg217
Pu2TeH3 PuTeH Pu4Te4H
2023-06-29 19:52:07.315935
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708835).
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 agm005708835
data_agm005708835
_cell_length_a 6.49510
_cell_length_b 6.49511
_cell_length_c 6.49511
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47121
_cell_volume 210.92921
_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 1.00000 0.62765 1.00000 1.00000
Pu2 Pu 0.62765 1.00000 0.00000 1.00000
Pu3 Pu 0.00000 0.00000 0.62765 1.00000
Pu4 Pu 0.37235 0.37235 0.37235 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.50000 0.00000 0.50000 1.00000
Te3 Te 0.00000 0.50000 0.50000 1.00000
H1 H 1.00000 0.24746 1.00000 1.00000
H2 H 0.00000 0.00000 0.24746 1.00000
H3 H 0.24746 1.00000 0.00000 1.00000
H4 H 0.75254 0.75254 0.75254 1.00000
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