NdMgB14
Alexandria ALEXAlex-ID: agm005754649 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MgB7 NdB6 B
2023-07-18 13:55:49.761079
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754649).
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 agm005754649
data_agm005754649
_cell_length_a 5.93785
_cell_length_b 7.43565
_cell_length_c 7.43565
_cell_angle_alpha 68.31076
_cell_angle_beta 66.46666
_cell_angle_gamma 66.46666
_cell_volume 267.19494
_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
Nd1 Nd 0.25000 0.38864 0.11136 1.00000
Nd2 Nd 0.75000 0.61136 0.88864 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
B1 B 0.66618 0.36340 0.30424 1.00000
B2 B 0.33382 0.63660 0.69576 1.00000
B3 B 0.16618 0.80424 0.86340 1.00000
B4 B 0.83382 0.19576 0.13660 1.00000
B5 B 0.13132 0.23978 0.49757 1.00000
B6 B 0.86868 0.76022 0.50243 1.00000
B7 B 0.63132 0.99757 0.73978 1.00000
B8 B 0.36868 0.00243 0.26022 1.00000
B9 B 0.08292 0.08580 0.74836 1.00000
B10 B 0.91708 0.91420 0.25164 1.00000
B11 B 0.58292 0.24836 0.58580 1.00000
B12 B 0.41708 0.75164 0.41420 1.00000
B13 B 0.71938 0.60045 0.28050 1.00000
B14 B 0.60033 0.39955 0.71950 1.00000
B15 B 0.21938 0.78050 0.10045 1.00000
B16 B 0.10033 0.21950 0.89955 1.00000
B17 B 0.28062 0.39955 0.71950 1.00000
B18 B 0.39967 0.60045 0.28050 1.00000
B19 B 0.78062 0.21950 0.89955 1.00000
B20 B 0.89967 0.78050 0.10045 1.00000
B21 B 0.32403 0.97117 0.87712 1.00000
B22 B 0.17232 0.02883 0.12288 1.00000
B23 B 0.82403 0.37712 0.47117 1.00000
B24 B 0.67232 0.62288 0.52883 1.00000
B25 B 0.67597 0.02883 0.12288 1.00000
B26 B 0.82768 0.97117 0.87712 1.00000
B27 B 0.17597 0.62288 0.52883 1.00000
B28 B 0.32768 0.37712 0.47117 1.00000
