Ce3(ThIn2)2
Alexandria ALEXAlex-ID: agm005668228 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_140_spg12
CeTh5In6 Th3In CeIn
2023-06-27 07:33:18.491399
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668228).
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 agm005668228
data_agm005668228
_cell_length_a 4.85416
_cell_length_b 5.74536
_cell_length_c 10.43575
_cell_angle_alpha 76.25502
_cell_angle_beta 90.00353
_cell_angle_gamma 65.00626
_cell_volume 254.55910
_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 0.36123 0.27753 0.43924 1.00000
Ce2 Ce 0.00000 0.00000 0.00000 1.00000
Ce3 Ce 0.63877 0.72247 0.56076 1.00000
Th1 Th 0.33226 0.33556 0.78209 1.00000
Th2 Th 0.66774 0.66444 0.21791 1.00000
In1 In 0.66784 0.66439 0.89615 1.00000
In2 In 0.01640 0.96725 0.33728 1.00000
In3 In 0.98360 0.03275 0.66272 1.00000
In4 In 0.33216 0.33561 0.10385 1.00000
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