LiNdB14
Alexandria ALEXAlex-ID: agm005754044 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
NdB6 LiB3 B
2023-07-18 21:45:44.478708
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754044).
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 agm005754044
data_agm005754044
_cell_length_a 5.88819
_cell_length_b 7.34045
_cell_length_c 7.34045
_cell_angle_alpha 69.11222
_cell_angle_beta 66.35438
_cell_angle_gamma 66.35437
_cell_volume 258.89202
_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
Li1 Li 0.50000 0.00000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.25000 0.37986 0.12014 1.00000
Nd2 Nd 0.75000 0.62014 0.87986 1.00000
B1 B 0.66529 0.36162 0.30780 1.00000
B2 B 0.33471 0.63838 0.69220 1.00000
B3 B 0.16529 0.80780 0.86162 1.00000
B4 B 0.83471 0.19220 0.13838 1.00000
B5 B 0.14652 0.22201 0.48496 1.00000
B6 B 0.85348 0.77799 0.51504 1.00000
B7 B 0.64652 0.98496 0.72201 1.00000
B8 B 0.35348 0.01504 0.27799 1.00000
B9 B 0.08848 0.08302 0.74002 1.00000
B10 B 0.91152 0.91698 0.25998 1.00000
B11 B 0.58848 0.24002 0.58302 1.00000
B12 B 0.41152 0.75998 0.41698 1.00000
B13 B 0.71525 0.60226 0.28368 1.00000
B14 B 0.60119 0.39774 0.71632 1.00000
B15 B 0.21525 0.78368 0.10226 1.00000
B16 B 0.10119 0.21632 0.89774 1.00000
B17 B 0.28475 0.39774 0.71632 1.00000
B18 B 0.39881 0.60226 0.28368 1.00000
B19 B 0.78475 0.21632 0.89774 1.00000
B20 B 0.89881 0.78368 0.10226 1.00000
B21 B 0.32849 0.96815 0.87393 1.00000
B22 B 0.17057 0.03185 0.12607 1.00000
B23 B 0.82849 0.37393 0.46815 1.00000
B24 B 0.67057 0.62607 0.53185 1.00000
B25 B 0.67151 0.03185 0.12607 1.00000
B26 B 0.82943 0.96815 0.87393 1.00000
B27 B 0.17151 0.62607 0.53185 1.00000
B28 B 0.32943 0.37393 0.46815 1.00000
