Ge3H9W2
Alexandria ALEXAlex-ID: agm006190652 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_196_spg12
Ge GeH8 W
2024-02-01 23:53:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006190652).
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 agm006190652
data_agm006190652
_cell_length_a 4.72059
_cell_length_b 4.72058
_cell_length_c 6.40043
_cell_angle_alpha 89.99998
_cell_angle_beta 89.99998
_cell_angle_gamma 120.00000
_cell_volume 123.51834
_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
W1 W 0.33333 0.66667 0.79410 1.00000
W2 W 0.66667 0.33333 0.20590 1.00000
Ge1 Ge 0.33333 0.66667 0.38289 1.00000
Ge2 Ge 0.00000 0.00000 0.00000 1.00000
Ge3 Ge 0.66667 0.33333 0.61711 1.00000
H1 H 0.86183 0.72366 0.31894 1.00000
H2 H 0.86183 0.13817 0.31894 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.13817 0.86183 0.68106 1.00000
H5 H 0.72366 0.86183 0.68106 1.00000
H6 H 0.27634 0.13817 0.31894 1.00000
H7 H 0.13817 0.27634 0.68106 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
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