Ac3In7Cu4
Alexandria ALEXAlex-ID: agm005698803 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
AcIn3Cu AcIn2 Cu
2023-06-29 16:28:55.025475
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698803).
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 agm005698803
data_agm005698803
_cell_length_a 4.71494
_cell_length_b 9.03232
_cell_length_c 9.14640
_cell_angle_alpha 68.66731
_cell_angle_beta 75.06351
_cell_angle_gamma 74.87038
_cell_volume 344.46313
_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 0.30936 0.17619 0.20509 1.00000
Ac2 Ac 0.69064 0.82381 0.79491 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
In1 In 0.33151 0.80826 0.52871 1.00000
In2 In 0.49170 0.22761 0.78899 1.00000
In3 In 0.83609 0.40084 0.92699 1.00000
In4 In 0.66849 0.19174 0.47129 1.00000
In5 In 0.16391 0.59916 0.07301 1.00000
In6 In 0.00000 0.00000 0.00000 1.00000
In7 In 0.50830 0.77239 0.21101 1.00000
Cu1 Cu 0.65968 0.46222 0.21842 1.00000
Cu2 Cu 0.34032 0.53778 0.78158 1.00000
Cu3 Cu 0.86674 0.90561 0.36091 1.00000
Cu4 Cu 0.13326 0.09439 0.63909 1.00000
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