AgGeB
Alexandria ALEXAlex-ID: agm003037726 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1644_spg194
Ag Ge B
2023-03-24 08:42:51.474416
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003037726).
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 agm003037726
data_agm003037726
_cell_length_a 9.00817
_cell_length_b 3.56274
_cell_length_c 6.20711
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 199.20951
_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
Ge1 Ge 0.24972 0.25000 0.13959 1.00000
Ge2 Ge 0.25028 0.75000 0.63959 1.00000
Ge3 Ge 0.75028 0.75000 0.86041 1.00000
Ge4 Ge 0.74972 0.25000 0.36041 1.00000
B1 B 0.74985 0.25000 0.68947 1.00000
B2 B 0.75015 0.75000 0.18947 1.00000
B3 B 0.25015 0.75000 0.31053 1.00000
B4 B 0.24985 0.25000 0.81053 1.00000
Ag1 Ag 0.00004 0.25000 0.74819 1.00000
Ag2 Ag 0.49996 0.75000 0.24819 1.00000
Ag3 Ag 0.99996 0.75000 0.25181 1.00000
Ag4 Ag 0.50004 0.25000 0.75181 1.00000
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