Nd3NiGe
Alexandria ALEXAlex-ID: agm003713680 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1312_spg12
Nd11(Ni2Ge3)2 Nd4Ge3 Nd3Ni
2022-04-16 07:47:13.083606
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003713680).
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 agm003713680
data_agm003713680
_cell_length_a 4.20705
_cell_length_b 7.87064
_cell_length_c 8.28602
_cell_angle_alpha 90.16932
_cell_angle_beta 89.99870
_cell_angle_gamma 105.48428
_cell_volume 264.40821
_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 0.06495 0.16278 0.39195 1.00000
Nd2 Nd 0.41630 0.86636 0.65562 1.00000
Nd3 Nd 0.62766 0.28786 0.76594 1.00000
Nd4 Nd 0.97906 0.99115 0.02966 1.00000
Nd5 Nd 0.26696 0.56665 0.01509 1.00000
Nd6 Nd 0.77704 0.58733 0.40640 1.00000
Ni1 Ni 0.23311 0.50041 0.65142 1.00000
Ni2 Ni 0.81070 0.65407 0.77010 1.00000
Ge1 Ge 0.41173 0.85691 0.27967 1.00000
Ge2 Ge 0.63233 0.29688 0.14192 1.00000
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