Ac3Cd2In9
Alexandria ALEXAlex-ID: agm005602287 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_15_spg71
CdIn6 AcCd11 AcIn3
2023-06-13 23:26:42.919377
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602287).
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 agm005602287
data_agm005602287
_cell_length_a 4.84978
_cell_length_b 9.51324
_cell_length_c 9.51324
_cell_angle_alpha 73.68827
_cell_angle_beta 75.23255
_cell_angle_gamma 75.23255
_cell_volume 399.30741
_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
Ac2 Ac 0.68213 0.31787 0.31787 1.00000
Ac3 Ac 0.31787 0.68213 0.68213 1.00000
Cd1 Cd 0.50000 0.29161 0.70839 1.00000
Cd2 Cd 0.50000 0.70839 0.29161 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.66136 0.96579 0.71149 1.00000
In3 In 0.33864 0.03421 0.28851 1.00000
In4 In 0.66136 0.71149 0.96579 1.00000
In5 In 0.33864 0.28851 0.03421 1.00000
In6 In 0.85880 0.86475 0.41765 1.00000
In7 In 0.14120 0.13525 0.58235 1.00000
In8 In 0.85880 0.41765 0.86475 1.00000
In9 In 0.14120 0.58235 0.13525 1.00000
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