NaMgB14
Alexandria ALEXAlex-ID: agm005754143 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
Na3B20 MgB7 NaB15
2023-07-18 14:04:10.800378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754143).
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 agm005754143
data_agm005754143
_cell_length_a 5.96303
_cell_length_b 7.36491
_cell_length_c 7.36491
_cell_angle_alpha 68.26817
_cell_angle_beta 66.11972
_cell_angle_gamma 66.11972
_cell_volume 262.07062
_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 0.39527 0.10473 1.00000
Na2 Na 0.75000 0.60473 0.89527 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
B1 B 0.66568 0.36515 0.30349 1.00000
B2 B 0.33432 0.63485 0.69651 1.00000
B3 B 0.16568 0.80349 0.86515 1.00000
B4 B 0.83432 0.19651 0.13485 1.00000
B5 B 0.12116 0.25547 0.50220 1.00000
B6 B 0.87884 0.74453 0.49780 1.00000
B7 B 0.62116 0.00220 0.75547 1.00000
B8 B 0.37884 0.99780 0.24453 1.00000
B9 B 0.08395 0.08276 0.74934 1.00000
B10 B 0.91605 0.91724 0.25066 1.00000
B11 B 0.58395 0.24934 0.58276 1.00000
B12 B 0.41605 0.75066 0.41724 1.00000
B13 B 0.71724 0.60470 0.27721 1.00000
B14 B 0.59915 0.39530 0.72279 1.00000
B15 B 0.21724 0.77721 0.10470 1.00000
B16 B 0.09915 0.22279 0.89530 1.00000
B17 B 0.28276 0.39530 0.72279 1.00000
B18 B 0.40085 0.60470 0.27721 1.00000
B19 B 0.78276 0.22279 0.89530 1.00000
B20 B 0.90085 0.77721 0.10470 1.00000
B21 B 0.32184 0.96598 0.87929 1.00000
B22 B 0.16711 0.03402 0.12071 1.00000
B23 B 0.82184 0.37929 0.46598 1.00000
B24 B 0.66711 0.62071 0.53402 1.00000
B25 B 0.67816 0.03402 0.12071 1.00000
B26 B 0.83289 0.96598 0.87929 1.00000
B27 B 0.17816 0.62071 0.53402 1.00000
B28 B 0.33289 0.37929 0.46598 1.00000
