In4As5
Alexandria ALEXAlex-ID: agm005504619 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_89_spg87
InAs As
2023-03-19 11:50:44.863807
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504619).
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 agm005504619
data_agm005504619
_cell_length_a 8.02324
_cell_length_b 8.02324
_cell_length_c 8.02324
_cell_angle_alpha 92.80038
_cell_angle_beta 92.80038
_cell_angle_gamma 154.46035
_cell_volume 217.16359
_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
In1 In 0.30363 0.00000 0.30363 1.00000
In2 In 0.69637 0.00000 0.69637 1.00000
In3 In 0.00000 0.69637 0.69637 1.00000
In4 In 0.00000 0.30363 0.30363 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
As2 As 0.31073 0.68927 0.00000 1.00000
As3 As 0.68927 0.31073 0.00000 1.00000
As4 As 0.68927 0.68927 0.37854 1.00000
As5 As 0.31073 0.31073 0.62146 1.00000
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