U3Ni2Ge3
Alexandria ALEXAlex-ID: agm009199409 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
UNiGe U2NiGe2
2024-05-14 21:50:55.454826
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009199409).
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 agm009199409
data_agm009199409
_cell_length_a 5.44042
_cell_length_b 5.44042
_cell_length_c 13.95254
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 134.34891
_cell_volume 295.31264
_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 0.07814 0.92186 0.88392 1.00000
U2 U 0.92186 0.07814 0.38392 1.00000
U3 U 0.07814 0.92186 0.61608 1.00000
U4 U 0.92186 0.07814 0.11608 1.00000
U5 U 0.37059 0.62941 0.75000 1.00000
U6 U 0.62941 0.37059 0.25000 1.00000
Ni1 Ni 0.20825 0.79175 0.40143 1.00000
Ni2 Ni 0.79175 0.20825 0.90143 1.00000
Ni3 Ni 0.20825 0.79175 0.09857 1.00000
Ni4 Ni 0.79175 0.20825 0.59857 1.00000
Ge1 Ge 0.37730 0.62270 0.96299 1.00000
Ge2 Ge 0.62270 0.37730 0.46299 1.00000
Ge3 Ge 0.37730 0.62270 0.53701 1.00000
Ge4 Ge 0.62270 0.37730 0.03701 1.00000
Ge5 Ge 0.66452 0.33548 0.75000 1.00000
Ge6 Ge 0.33548 0.66452 0.25000 1.00000
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