In5W4
Alexandria ALEXAlex-ID: agm005502847 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_108_spg139
W In
2023-03-19 13:16:35.439826
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005502847).
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 agm005502847
data_agm005502847
_cell_length_a 7.70394
_cell_length_b 7.70394
_cell_length_c 7.70394
_cell_angle_alpha 92.51187
_cell_angle_beta 92.51187
_cell_angle_gamma 155.83177
_cell_volume 183.05170
_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 0.00000 0.00000 0.00000 1.00000
In2 In 0.33255 0.66745 0.00000 1.00000
In3 In 0.66745 0.33255 0.00000 1.00000
In4 In 0.66745 0.66745 0.33489 1.00000
In5 In 0.33255 0.33255 0.66511 1.00000
W1 W 0.35790 0.00000 0.35790 1.00000
W2 W 0.64210 0.00000 0.64210 1.00000
W3 W 0.00000 0.64210 0.64210 1.00000
W4 W 0.00000 0.35790 0.35790 1.00000
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