ThNi3Ge2
Alexandria ALEXAlex-ID: agm005806030 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_326_spg12
ThNi4Ge Ni3Ge Th(NiGe)2
2023-08-23 09:31:37.374135
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806030).
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 agm005806030
data_agm005806030
_cell_length_a 3.98008
_cell_length_b 8.14262
_cell_length_c 9.55755
_cell_angle_alpha 107.09374
_cell_angle_beta 90.00000
_cell_angle_gamma 104.14624
_cell_volume 286.21892
_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
Th1 Th 0.15651 0.31302 0.69638 1.00000
Th2 Th 0.84349 0.68698 0.30362 1.00000
Th3 Th 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.04649 0.09298 0.34511 1.00000
Ni2 Ni 0.95351 0.90702 0.65489 1.00000
Ni3 Ni 0.21476 0.42952 0.38812 1.00000
Ni4 Ni 0.78524 0.57048 0.61188 1.00000
Ni5 Ni 0.62364 0.24728 0.19365 1.00000
Ni6 Ni 0.37636 0.75272 0.80635 1.00000
Ni7 Ni 0.50000 0.00000 0.50000 1.00000
Ni8 Ni 0.32557 0.65114 0.03361 1.00000
Ni9 Ni 0.67443 0.34886 0.96639 1.00000
Ge1 Ge 0.20115 0.40230 0.12572 1.00000
Ge2 Ge 0.79885 0.59770 0.87428 1.00000
Ge3 Ge 0.46996 0.93992 0.22836 1.00000
Ge4 Ge 0.53004 0.06008 0.77164 1.00000
Ge5 Ge 0.35922 0.71844 0.55332 1.00000
Ge6 Ge 0.64078 0.28156 0.44668 1.00000
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