Th5Te4
Alexandria ALEXAlex-ID: agm002190332 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_4_spg139
ThTe Th
2018-06-10 09:17:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002190332).
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 agm002190332
data_agm002190332
_cell_length_a 4.19668
_cell_length_b 8.75207
_cell_length_c 8.75266
_cell_angle_alpha 86.69801
_cell_angle_beta 76.11289
_cell_angle_gamma 76.14543
_cell_volume 303.00549
_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
Te1 Te 0.95277 0.32770 0.76623 1.00000
Te2 Te 0.28151 0.76624 0.67233 1.00000
Te3 Te 0.71849 0.23376 0.32767 1.00000
Te4 Te 0.04723 0.67230 0.23377 1.00000
Th1 Th 0.69115 0.67378 0.94532 1.00000
Th2 Th 0.36355 0.94529 0.32622 1.00000
Th3 Th 0.63645 0.05471 0.67378 1.00000
Th4 Th 0.30885 0.32622 0.05468 1.00000
Th5 Th 0.00000 0.00000 0.00000 1.00000
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