Ce4Th4In3
Alexandria ALEXAlex-ID: agm005697203 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
CeTh3 Th CeIn
2023-06-30 01:12:28.212031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697203).
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 agm005697203
data_agm005697203
_cell_length_a 3.58480
_cell_length_b 4.64143
_cell_length_c 21.25274
_cell_angle_alpha 83.73126
_cell_angle_beta 65.04957
_cell_angle_gamma 90.00001
_cell_volume 318.28039
_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
Ce1 Ce 0.69857 0.53981 0.92044 1.00000
Ce2 Ce 0.30146 0.46022 0.07956 1.00000
Ce3 Ce 0.10980 0.82177 0.35645 1.00000
Ce4 Ce 0.89023 0.17826 0.64355 1.00000
Th1 Th 0.45610 0.09144 0.81720 1.00000
Th2 Th 0.37972 0.27597 0.44807 1.00000
Th3 Th 0.62032 0.72406 0.55193 1.00000
Th4 Th 0.54391 0.90858 0.18280 1.00000
In1 In 0.16679 0.63360 0.73289 1.00000
In2 In 0.83323 0.36642 0.26711 1.00000
In3 In 0.00001 0.00001 0.00000 1.00000
Get direct link