Lu3NiGe2
Alexandria ALEXAlex-ID: agm084345238 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1924_spg62
Lu3NiGe2
2025-03-17 13:09:42.533305
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm084345238).
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 agm084345238
data_agm084345238
_cell_length_a 4.08845
_cell_length_b 11.06369
_cell_length_c 11.15705
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 504.67022
_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
Lu1 Lu 0.75000 0.87248 0.05604 1.00000
Lu2 Lu 0.25000 0.12752 0.94396 1.00000
Lu3 Lu 0.25000 0.37248 0.44396 1.00000
Lu4 Lu 0.75000 0.62752 0.55604 1.00000
Lu5 Lu 0.25000 0.44296 0.11984 1.00000
Lu6 Lu 0.75000 0.55704 0.88016 1.00000
Lu7 Lu 0.75000 0.94296 0.38016 1.00000
Lu8 Lu 0.25000 0.05704 0.61984 1.00000
Lu9 Lu 0.75000 0.19962 0.22141 1.00000
Lu10 Lu 0.25000 0.80038 0.77859 1.00000
Lu11 Lu 0.25000 0.69962 0.27859 1.00000
Lu12 Lu 0.75000 0.30038 0.72141 1.00000
Ni1 Ni 0.75000 0.63182 0.12953 1.00000
Ni2 Ni 0.25000 0.36818 0.87047 1.00000
Ni3 Ni 0.25000 0.13182 0.37047 1.00000
Ni4 Ni 0.75000 0.86818 0.62953 1.00000
Ge1 Ge 0.25000 0.68759 0.01528 1.00000
Ge2 Ge 0.75000 0.31241 0.98472 1.00000
Ge3 Ge 0.75000 0.18759 0.48472 1.00000
Ge4 Ge 0.25000 0.81241 0.51528 1.00000
Ge5 Ge 0.25000 0.00280 0.19063 1.00000
Ge6 Ge 0.75000 0.99720 0.80937 1.00000
Ge7 Ge 0.75000 0.50280 0.30937 1.00000
Ge8 Ge 0.25000 0.49720 0.69063 1.00000
