Nd3Cu7Ge4
Alexandria ALEXAlex-ID: agm005693254 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Nd2(CuGe)3 NdCuGe Cu
2023-06-29 16:24:19.458499
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693254).
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 agm005693254
data_agm005693254
_cell_length_a 4.24848
_cell_length_b 8.09412
_cell_length_c 8.06492
_cell_angle_alpha 68.88707
_cell_angle_beta 74.72853
_cell_angle_gamma 74.78496
_cell_volume 245.21734
_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
Nd1 Nd 0.30378 0.20029 0.19214 1.00000
Nd2 Nd 0.69622 0.79971 0.80786 1.00000
Nd3 Nd 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.33330 0.81501 0.51839 1.00000
Cu2 Cu 0.49767 0.20214 0.80253 1.00000
Cu3 Cu 0.86142 0.36859 0.90856 1.00000
Cu4 Cu 0.66670 0.18499 0.48161 1.00000
Cu5 Cu 0.13858 0.63141 0.09144 1.00000
Cu6 Cu 0.00000 0.00000 0.00000 1.00000
Cu7 Cu 0.50233 0.79786 0.19747 1.00000
Ge1 Ge 0.65788 0.47177 0.21246 1.00000
Ge2 Ge 0.34212 0.52823 0.78754 1.00000
Ge3 Ge 0.87506 0.90979 0.34009 1.00000
Ge4 Ge 0.12494 0.09021 0.65991 1.00000
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