Nd2Nb2Ge2N
Alexandria ALEXAlex-ID: agm023914261 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_1_spg139
Nb2N NdGe
2025-04-18 19:47:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023914261).
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
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# CIF generated by HEAS from Alexandria entry agm023914261
data_agm023914261
_cell_length_a 8.39803
_cell_length_b 8.39803
_cell_length_c 8.39803
_cell_angle_alpha 150.60704
_cell_angle_beta 150.60704
_cell_angle_gamma 42.05105
_cell_volume 142.33313
_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 0.16773 0.16773 0.00000 1.00000
Nd2 Nd 0.83227 0.83227 0.00000 1.00000
Nb1 Nb 0.50000 0.00000 0.50000 1.00000
Nb2 Nb 0.00000 0.50000 0.50000 1.00000
Ge1 Ge 0.37521 0.37521 0.00000 1.00000
Ge2 Ge 0.62479 0.62479 0.00000 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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