Ac3ZnIn2
Alexandria ALEXAlex-ID: agm036331855 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_110_spg71
AcZn AcIn
2025-04-15 11:16:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036331855).
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 agm036331855
data_agm036331855
_cell_length_a 5.75325
_cell_length_b 4.02467
_cell_length_c 9.09113
_cell_angle_alpha 90.00000
_cell_angle_beta 108.70674
_cell_angle_gamma 90.00000
_cell_volume 199.38440
_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 0.50000 0.50000 1.00000
Ac2 Ac 0.66280 0.50000 0.82172 1.00000
Ac3 Ac 0.33720 0.50000 0.17828 1.00000
Zn1 Zn 0.50000 0.00000 0.50000 1.00000
In1 In 0.17037 0.00000 0.83564 1.00000
In2 In 0.82963 0.00000 0.16436 1.00000
