NaMnB14
Alexandria ALEXAlex-ID: agm005754156 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
Na3B20 MnB4 NaB15
2023-07-18 14:04:43.403830
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754156).
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 agm005754156
data_agm005754156
_cell_length_a 5.83881
_cell_length_b 7.26625
_cell_length_c 7.26625
_cell_angle_alpha 69.40046
_cell_angle_beta 66.31076
_cell_angle_gamma 66.31076
_cell_volume 251.76392
_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 0.40449 0.09551 1.00000
Na2 Na 0.75000 0.59551 0.90449 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66613 0.37024 0.29751 1.00000
B2 B 0.33387 0.62976 0.70249 1.00000
B3 B 0.16613 0.79751 0.87024 1.00000
B4 B 0.83387 0.20249 0.12976 1.00000
B5 B 0.14496 0.23450 0.47558 1.00000
B6 B 0.85504 0.76550 0.52442 1.00000
B7 B 0.64496 0.97558 0.73450 1.00000
B8 B 0.35504 0.02442 0.26550 1.00000
B9 B 0.08969 0.07465 0.74597 1.00000
B10 B 0.91031 0.92535 0.25403 1.00000
B11 B 0.58969 0.24597 0.57465 1.00000
B12 B 0.41031 0.75403 0.42535 1.00000
B13 B 0.71741 0.60635 0.27813 1.00000
B14 B 0.60189 0.39365 0.72187 1.00000
B15 B 0.21741 0.77813 0.10635 1.00000
B16 B 0.10189 0.22187 0.89365 1.00000
B17 B 0.28259 0.39365 0.72187 1.00000
B18 B 0.39811 0.60635 0.27813 1.00000
B19 B 0.78259 0.22187 0.89365 1.00000
B20 B 0.89811 0.77813 0.10635 1.00000
B21 B 0.32856 0.96256 0.87684 1.00000
B22 B 0.16795 0.03744 0.12316 1.00000
B23 B 0.82856 0.37684 0.46256 1.00000
B24 B 0.66795 0.62316 0.53744 1.00000
B25 B 0.67144 0.03744 0.12316 1.00000
B26 B 0.83205 0.96256 0.87684 1.00000
B27 B 0.17144 0.62316 0.53744 1.00000
B28 B 0.33205 0.37684 0.46256 1.00000
