NdB14Ru
Alexandria ALEXAlex-ID: agm005753462 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
B2Ru NdB6 B
2023-07-18 14:06:31.097021
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753462).
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 agm005753462
data_agm005753462
_cell_length_a 5.89449
_cell_length_b 7.46086
_cell_length_c 7.46086
_cell_angle_alpha 67.73470
_cell_angle_beta 66.73231
_cell_angle_gamma 66.73232
_cell_volume 267.08426
_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 0.37233 0.12767 1.00000
Nd2 Nd 0.75000 0.62767 0.87233 1.00000
B1 B 0.66588 0.36938 0.29885 1.00000
B2 B 0.33412 0.63062 0.70115 1.00000
B3 B 0.16588 0.79885 0.86938 1.00000
B4 B 0.83412 0.20115 0.13062 1.00000
B5 B 0.12017 0.24590 0.51376 1.00000
B6 B 0.87983 0.75410 0.48624 1.00000
B7 B 0.62017 0.01376 0.74590 1.00000
B8 B 0.37983 0.98624 0.25410 1.00000
B9 B 0.08210 0.08706 0.74874 1.00000
B10 B 0.91790 0.91294 0.25126 1.00000
B11 B 0.58210 0.24874 0.58706 1.00000
B12 B 0.41790 0.75126 0.41294 1.00000
B13 B 0.72262 0.59909 0.27867 1.00000
B14 B 0.60039 0.40091 0.72133 1.00000
B15 B 0.22262 0.77867 0.09909 1.00000
B16 B 0.10039 0.22133 0.90091 1.00000
B17 B 0.27738 0.40091 0.72133 1.00000
B18 B 0.39961 0.59909 0.27867 1.00000
B19 B 0.77738 0.22133 0.90091 1.00000
B20 B 0.89961 0.77867 0.09909 1.00000
B21 B 0.32357 0.97112 0.87366 1.00000
B22 B 0.16836 0.02888 0.12634 1.00000
B23 B 0.82357 0.37366 0.47112 1.00000
B24 B 0.66836 0.62634 0.52888 1.00000
B25 B 0.67643 0.02888 0.12634 1.00000
B26 B 0.83164 0.97112 0.87366 1.00000
B27 B 0.17643 0.62634 0.52888 1.00000
B28 B 0.33164 0.37366 0.47112 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
Ru2 Ru 0.00000 0.00000 0.50000 1.00000
