Ce3Zn8In3
Alexandria ALEXAlex-ID: agm005684012 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_60_spg71
Ce3Zn22 Ce3Zn11 CeIn3
2023-06-29 12:06:33.808813
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684012).
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 agm005684012
data_agm005684012
_cell_length_a 4.47693
_cell_length_b 8.57271
_cell_length_c 8.57271
_cell_angle_alpha 68.69302
_cell_angle_beta 74.86374
_cell_angle_gamma 74.86375
_cell_volume 290.79360
_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 0.50000 0.50000 0.50000 1.00000
Ce2 Ce 0.80349 0.19651 0.19651 1.00000
Ce3 Ce 0.19651 0.80349 0.80349 1.00000
Zn1 Zn 0.65472 0.07999 0.61057 1.00000
Zn2 Zn 0.34528 0.92001 0.38943 1.00000
Zn3 Zn 0.65472 0.61057 0.07999 1.00000
Zn4 Zn 0.34528 0.38943 0.92001 1.00000
Zn5 Zn 0.83397 0.79380 0.53825 1.00000
Zn6 Zn 0.16603 0.20620 0.46175 1.00000
Zn7 Zn 0.83397 0.53825 0.79380 1.00000
Zn8 Zn 0.16603 0.46175 0.20620 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
In2 In 0.00000 0.78085 0.21915 1.00000
In3 In 1.00000 0.21915 0.78085 1.00000
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