La3Nd2N4
Alexandria ALEXAlex-ID: agm005690339 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
La4N3 Nd6N5 NdN
2023-06-27 19:14:12.194141
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690339).
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 agm005690339
data_agm005690339
_cell_length_a 3.71872
_cell_length_b 6.49322
_cell_length_c 8.29107
_cell_angle_alpha 76.41198
_cell_angle_beta 77.04059
_cell_angle_gamma 73.36017
_cell_volume 183.77988
_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
La1 La 0.00000 0.00000 0.00000 1.00000
La2 La 0.20213 0.40506 0.19069 1.00000
La3 La 0.79787 0.59494 0.80931 1.00000
Nd1 Nd 0.60977 0.16585 0.61461 1.00000
Nd2 Nd 0.39023 0.83415 0.38539 1.00000
N1 N 0.80233 0.08262 0.31272 1.00000
N2 N 0.19767 0.91738 0.68728 1.00000
N3 N 0.39368 0.30778 0.90485 1.00000
N4 N 0.60632 0.69222 0.09515 1.00000
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