Al4Ge2H
Alexandria ALEXAlex-ID: agm006571377 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_914_spg166
Al Ge AlH3
2024-03-01 02:29:17.871095
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006571377).
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 agm006571377
data_agm006571377
_cell_length_a 4.25105
_cell_length_b 4.79987
_cell_length_c 8.01089
_cell_angle_alpha 105.41347
_cell_angle_beta 90.51985
_cell_angle_gamma 123.49605
_cell_volume 128.91898
_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
Al1 Al 0.17110 0.56248 0.28438 1.00000
Al2 Al 0.02727 0.47714 0.66889 1.00000
Al3 Al 0.30499 0.04579 0.10000 1.00000
Al4 Al 0.39604 0.52689 0.96544 1.00000
Ge1 Ge 0.32070 0.09366 0.65717 1.00000
Ge2 Ge 0.92043 0.98387 0.36688 1.00000
H1 H 0.85948 0.81018 0.95725 1.00000
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