Lu(BeN)2
Alexandria ALEXAlex-ID: agm002201262 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_400_spg12
LuBe13 Be3N2 LuN
2018-07-09 09:20:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201262).
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 agm002201262
data_agm002201262
_cell_length_a 5.03864
_cell_length_b 5.46873
_cell_length_c 5.46873
_cell_angle_alpha 93.66414
_cell_angle_beta 118.60665
_cell_angle_gamma 118.60665
_cell_volume 107.41720
_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
Be1 Be 0.22380 0.81651 0.31651 1.00000
Be2 Be 0.50000 0.37576 0.12424 1.00000
Be3 Be 0.77620 0.18349 0.68349 1.00000
Be4 Be 0.50000 0.62424 0.87576 1.00000
Lu1 Lu 1.00000 0.79708 0.70292 1.00000
Lu2 Lu 0.00000 0.20292 0.29708 1.00000
N1 N 0.50000 0.82580 0.67420 1.00000
N2 N 0.18652 0.26356 0.76356 1.00000
N3 N 0.81348 0.73644 0.23644 1.00000
N4 N 0.50000 0.17420 0.32580 1.00000
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