Nd3Zn2B2N3
Alexandria ALEXAlex-ID: agm002199552 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D3_0_spg139
NdZn3 NdZn4 Nd3(BN2)2 NdB4
2023-03-24 07:31:24.851135
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199552).
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 agm002199552
data_agm002199552
_cell_length_a 3.68801
_cell_length_b 3.68801
_cell_length_c 10.88361
_cell_angle_alpha 99.75769
_cell_angle_beta 99.75769
_cell_angle_gamma 90.05552
_cell_volume 143.71286
_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
Zn1 Zn 0.25008 0.74993 0.50000 1.00000
Zn2 Zn 0.74993 0.25008 0.50000 1.00000
B1 B 0.81604 0.81604 0.63281 1.00000
B2 B 0.18397 0.18397 0.36719 1.00000
Nd1 Nd 0.62204 0.62204 0.24382 1.00000
Nd2 Nd 0.37797 0.37797 0.75618 1.00000
Nd3 Nd 0.00001 0.00001 0.00000 1.00000
N1 N 0.88473 0.88473 0.76920 1.00000
N2 N 0.50000 0.50000 0.00000 1.00000
N3 N 0.11528 0.11528 0.23080 1.00000
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