Zr4PaTe8
Alexandria ALEXAlex-ID: agm098035519 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_791_spg191
Zr3Te4 ZrTe2 PaTe2
2025-06-20 00:35:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098035519).
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 agm098035519
data_agm098035519
_cell_length_a 8.07189
_cell_length_b 8.07190
_cell_length_c 7.33254
_cell_angle_alpha 90.00588
_cell_angle_beta 89.99414
_cell_angle_gamma 119.99871
_cell_volume 413.75375
_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
Zr1 Zr 0.99918 0.00082 0.00012 1.00000
Zr2 Zr 0.49804 0.00115 0.99992 1.00000
Zr3 Zr 0.99885 0.50196 0.99992 1.00000
Zr4 Zr 0.49887 0.50113 0.00015 1.00000
Pa1 Pa 0.99841 0.00159 0.49997 1.00000
Te1 Te 0.65657 0.83007 0.75272 1.00000
Te2 Te 0.16984 0.83016 0.75162 1.00000
Te3 Te 0.66547 0.33453 0.76045 1.00000
Te4 Te 0.16993 0.34343 0.75272 1.00000
Te5 Te 0.82757 0.65895 0.24814 1.00000
Te6 Te 0.33204 0.66797 0.23951 1.00000
Te7 Te 0.82764 0.17236 0.24696 1.00000
Te8 Te 0.34105 0.17243 0.24814 1.00000
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