AcCe5In6
Alexandria ALEXAlex-ID: agm006116091 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
CeIn AcIn
2023-08-28 20:57:59.643626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116091).
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 agm006116091
data_agm006116091
_cell_length_a 4.90345
_cell_length_b 9.46457
_cell_length_c 9.09521
_cell_angle_alpha 121.35528
_cell_angle_beta 105.58622
_cell_angle_gamma 89.99319
_cell_volume 342.15718
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.67237 0.17263 0.34525 1.00000
Ce2 Ce 0.33293 0.33298 0.66595 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Ce4 Ce 0.66707 0.66702 0.33405 1.00000
Ce5 Ce 0.32763 0.82737 0.65475 1.00000
In1 In 0.83096 0.57862 0.66182 1.00000
In2 In 0.83096 0.08319 0.66182 1.00000
In3 In 0.50001 0.74376 1.00000 1.00000
In4 In 0.49999 0.25624 0.00000 1.00000
In5 In 0.16904 0.91681 0.33818 1.00000
In6 In 0.16904 0.42138 0.33818 1.00000
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