NaBeB14
Alexandria ALEXAlex-ID: agm005754132 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
NaBeB14
2023-07-18 14:09:26.255025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754132).
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 agm005754132
data_agm005754132
_cell_length_a 5.65849
_cell_length_b 7.20171
_cell_length_c 7.20171
_cell_angle_alpha 69.99359
_cell_angle_beta 66.86758
_cell_angle_gamma 66.86758
_cell_volume 241.98525
_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
Na1 Na 0.25000 0.40216 0.09784 1.00000
Na2 Na 0.75000 0.59784 0.90216 1.00000
Be1 Be 0.50000 0.00000 0.50000 1.00000
Be2 Be 0.00000 0.00000 0.50000 1.00000
B1 B 0.66673 0.36813 0.29842 1.00000
B2 B 0.33327 0.63187 0.70158 1.00000
B3 B 0.16673 0.79842 0.86813 1.00000
B4 B 0.83327 0.20158 0.13187 1.00000
B5 B 0.16154 0.20402 0.47291 1.00000
B6 B 0.83846 0.79598 0.52709 1.00000
B7 B 0.66154 0.97291 0.70402 1.00000
B8 B 0.33846 0.02709 0.29598 1.00000
B9 B 0.09192 0.07442 0.74173 1.00000
B10 B 0.90808 0.92558 0.25827 1.00000
B11 B 0.59192 0.24173 0.57442 1.00000
B12 B 0.40808 0.75827 0.42558 1.00000
B13 B 0.72041 0.60457 0.27923 1.00000
B14 B 0.60420 0.39543 0.72077 1.00000
B15 B 0.22041 0.77923 0.10457 1.00000
B16 B 0.10420 0.22077 0.89543 1.00000
B17 B 0.27959 0.39543 0.72077 1.00000
B18 B 0.39580 0.60457 0.27923 1.00000
B19 B 0.77959 0.22077 0.89543 1.00000
B20 B 0.89580 0.77923 0.10457 1.00000
B21 B 0.33426 0.96276 0.87717 1.00000
B22 B 0.17419 0.03724 0.12283 1.00000
B23 B 0.83426 0.37717 0.46276 1.00000
B24 B 0.67419 0.62283 0.53724 1.00000
B25 B 0.66574 0.03724 0.12283 1.00000
B26 B 0.82581 0.96276 0.87717 1.00000
B27 B 0.16574 0.62283 0.53724 1.00000
B28 B 0.32581 0.37717 0.46276 1.00000
