Pt5W4
Alexandria ALEXAlex-ID: agm005503112 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_4_spg139
Pt2W W
2023-03-19 15:52:40.318071
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503112).
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 agm005503112
data_agm005503112
_cell_length_a 6.34543
_cell_length_b 6.34543
_cell_length_c 6.34543
_cell_angle_alpha 95.37946
_cell_angle_beta 95.37946
_cell_angle_gamma 144.34063
_cell_volume 141.79116
_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
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.67090 0.32910 0.00000 1.00000
Pt3 Pt 0.67090 0.67090 0.34181 1.00000
Pt4 Pt 0.32910 0.32910 0.65819 1.00000
Pt5 Pt 0.32910 0.67090 0.00000 1.00000
W1 W 0.00000 0.33755 0.33755 1.00000
W2 W 0.00000 0.66245 0.66245 1.00000
W3 W 0.66245 0.00000 0.66245 1.00000
W4 W 0.33755 0.00000 0.33755 1.00000
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