Th3Zr3In5
Alexandria ALEXAlex-ID: agm005685034 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C5_114_spg1
Th3In5 Zr3In ThIn
2023-06-23 03:50:42.789247
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685034).
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 agm005685034
data_agm005685034
_cell_length_a 5.05500
_cell_length_b 10.76075
_cell_length_c 7.51434
_cell_angle_alpha 127.06134
_cell_angle_beta 74.25148
_cell_angle_gamma 85.65246
_cell_volume 298.29451
_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
Th1 Th 0.00516 0.51742 0.92409 1.00000
Th2 Th 0.18251 0.10724 0.69107 1.00000
Th3 Th 0.83724 0.49467 0.42285 1.00000
Zr1 Zr 0.52979 0.78302 0.98779 1.00000
Zr2 Zr 0.34833 0.13765 0.22843 1.00000
Zr3 Zr 0.64948 0.86538 0.64353 1.00000
In1 In 0.31742 0.68654 0.31946 1.00000
In2 In 0.68376 0.27906 0.57559 1.00000
In3 In 0.51109 0.32294 0.04181 1.00000
In4 In 0.05698 0.87859 0.86429 1.00000
In5 In 0.87823 0.92749 0.30109 1.00000
Get direct link