AcCdIn3
Alexandria ALEXAlex-ID: agm005807134 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4_spg107
CdIn6 AcCd11 AcIn3
2023-07-03 04:47:50.868419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807134).
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
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# CIF generated by HEAS from Alexandria entry agm005807134
data_agm005807134
_cell_length_a 4.85049
_cell_length_b 4.85794
_cell_length_c 6.91755
_cell_angle_alpha 69.86657
_cell_angle_beta 69.99959
_cell_angle_gamma 90.00045
_cell_volume 142.52443
_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 0.40355 0.20650 0.90232 1.00000
Cd1 Cd 0.00153 0.80847 0.67046 1.00000
In1 In 0.63496 0.96320 0.40676 1.00000
In2 In 0.16218 0.44121 0.40750 1.00000
In3 In 0.80555 0.60580 0.12410 1.00000
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