Ni3Ge4
Alexandria ALEXAlex-ID: agm003289647 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_242_spg166
NiGe Ge
2022-01-16 16:43:00.552506
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003289647).
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 agm003289647
data_agm003289647
_cell_length_a 6.28152
_cell_length_b 6.28152
_cell_length_c 6.28152
_cell_angle_alpha 76.50375
_cell_angle_beta 76.50377
_cell_angle_gamma 76.50376
_cell_volume 230.11967
_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
Ni1 Ni 0.50000 0.00000 0.50000 1.00000
Ni2 Ni 0.00000 0.50000 0.50000 1.00000
Ni3 Ni 0.50000 0.50000 0.00000 1.00000
Ni4 Ni 0.50000 0.50000 0.50000 1.00000
Ni5 Ni 0.90730 0.90730 0.90730 1.00000
Ni6 Ni 0.09270 0.09270 0.09270 1.00000
Ge1 Ge 0.73103 0.24306 0.24305 1.00000
Ge2 Ge 0.75695 0.75694 0.26897 1.00000
Ge3 Ge 0.73686 0.73686 0.73686 1.00000
Ge4 Ge 0.24305 0.24306 0.73103 1.00000
Ge5 Ge 0.75695 0.26897 0.75695 1.00000
Ge6 Ge 0.26314 0.26314 0.26314 1.00000
Ge7 Ge 0.26897 0.75694 0.75695 1.00000
Ge8 Ge 0.24305 0.73103 0.24305 1.00000
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