Sm3(BN3)2
Alexandria ALEXAlex-ID: agm003347992 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_7_spg139
SmBN2 SmN6 SmN
2022-02-02 16:08:22.534273
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003347992).
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 agm003347992
data_agm003347992
_cell_length_a 3.56025
_cell_length_b 3.56025
_cell_length_c 10.19770
_cell_angle_alpha 100.05315
_cell_angle_beta 100.05315
_cell_angle_gamma 90.00000
_cell_volume 125.25911
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.81998 0.81998 0.63996 1.00000
Sm3 Sm 0.18002 0.18002 0.36004 1.00000
B1 B 0.38038 0.38038 0.76076 1.00000
B2 B 0.61962 0.61962 0.23924 1.00000
N1 N 0.08808 0.58808 0.17616 1.00000
N2 N 0.58808 0.08808 0.17616 1.00000
N3 N 0.91192 0.41192 0.82384 1.00000
N4 N 0.41192 0.91192 0.82384 1.00000
N5 N 0.69377 0.69377 0.38754 1.00000
N6 N 0.30623 0.30623 0.61246 1.00000
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