UNi11Ge
Alexandria ALEXAlex-ID: agm005693133 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_5_spg12
Ni3Ge UNi5 Ni
2023-06-29 16:16:26.022070
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693133).
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 agm005693133
data_agm005693133
_cell_length_a 4.70716
_cell_length_b 6.22315
_cell_length_c 6.22065
_cell_angle_alpha 82.40109
_cell_angle_beta 67.76853
_cell_angle_gamma 69.54256
_cell_volume 158.03966
_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
U1 U 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.28704 0.21554 0.21715 1.00000
Ni2 Ni 0.71296 0.78446 0.78285 1.00000
Ni3 Ni 0.49581 0.78446 0.21715 1.00000
Ni4 Ni 0.50419 0.21554 0.78285 1.00000
Ni5 Ni 0.33698 0.65310 0.64575 1.00000
Ni6 Ni 0.66302 0.34690 0.35425 1.00000
Ni7 Ni 0.01727 0.34690 0.64575 1.00000
Ni8 Ni 0.98273 0.65310 0.35425 1.00000
Ni9 Ni 0.00000 0.50000 0.00000 1.00000
Ni10 Ni 0.50000 0.00000 0.50000 1.00000
Ni11 Ni 0.00000 0.00000 0.50000 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
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