Ge
Alexandria ALEXAlex-ID: agm005226729 · Space group: Fd-3m (#227)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A_417_spg227
Ge
2024-10-04 09:50:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226729).
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 agm005226729
data_agm005226729
_cell_length_a 10.91589
_cell_length_b 10.91589
_cell_length_c 10.91589
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 919.73531
_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 0.50000 0.50000 0.50000 1.00000
Ge2 Ge 0.75000 0.75000 0.75000 1.00000
Ge3 Ge 0.47438 0.84187 0.84187 1.00000
Ge4 Ge 0.84187 0.47438 0.84187 1.00000
Ge5 Ge 0.84187 0.84187 0.47438 1.00000
Ge6 Ge 0.84187 0.84187 0.84187 1.00000
Ge7 Ge 0.77562 0.40813 0.40813 1.00000
Ge8 Ge 0.40813 0.77562 0.40813 1.00000
Ge9 Ge 0.40813 0.40813 0.77562 1.00000
Ge10 Ge 0.40813 0.40813 0.40813 1.00000
Ge11 Ge 0.38959 0.99539 0.99539 1.00000
Ge12 Ge 0.99539 0.38959 0.61963 1.00000
Ge13 Ge 0.99539 0.61963 0.38959 1.00000
Ge14 Ge 0.61963 0.99539 0.99539 1.00000
Ge15 Ge 0.99539 0.99539 0.38959 1.00000
Ge16 Ge 0.38959 0.61963 0.99539 1.00000
Ge17 Ge 0.61963 0.38959 0.99539 1.00000
Ge18 Ge 0.99539 0.99539 0.61963 1.00000
Ge19 Ge 0.99539 0.38959 0.99539 1.00000
Ge20 Ge 0.61963 0.99539 0.38959 1.00000
Ge21 Ge 0.38959 0.99539 0.61963 1.00000
Ge22 Ge 0.99539 0.61963 0.99539 1.00000
Ge23 Ge 0.86041 0.25461 0.25461 1.00000
Ge24 Ge 0.25461 0.86041 0.63037 1.00000
Ge25 Ge 0.25461 0.63037 0.86041 1.00000
Ge26 Ge 0.63037 0.25461 0.25461 1.00000
Ge27 Ge 0.25461 0.25461 0.86041 1.00000
Ge28 Ge 0.86041 0.63037 0.25461 1.00000
Ge29 Ge 0.63037 0.86041 0.25461 1.00000
Ge30 Ge 0.25461 0.25461 0.63037 1.00000
Ge31 Ge 0.25461 0.86041 0.25461 1.00000
Ge32 Ge 0.63037 0.25461 0.86041 1.00000
Ge33 Ge 0.86041 0.25461 0.63037 1.00000
Ge34 Ge 0.25461 0.63037 0.25461 1.00000
