NdVB14
Alexandria ALEXAlex-ID: agm005755320 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
NdB6 VB2 B
2023-07-18 14:12:57.134970
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755320).
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 agm005755320
data_agm005755320
_cell_length_a 5.84284
_cell_length_b 7.41366
_cell_length_c 7.41366
_cell_angle_alpha 67.72421
_cell_angle_beta 66.79271
_cell_angle_gamma 66.79270
_cell_volume 261.57736
_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 0.38160 0.11840 1.00000
Nd2 Nd 0.75000 0.61840 0.88160 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
B1 B 0.66718 0.36219 0.30345 1.00000
B2 B 0.33282 0.63781 0.69655 1.00000
B3 B 0.16718 0.80345 0.86219 1.00000
B4 B 0.83282 0.19655 0.13781 1.00000
B5 B 0.12668 0.24065 0.50599 1.00000
B6 B 0.87332 0.75935 0.49401 1.00000
B7 B 0.62668 0.00599 0.74065 1.00000
B8 B 0.37332 0.99401 0.25935 1.00000
B9 B 0.08407 0.08398 0.74788 1.00000
B10 B 0.91593 0.91602 0.25212 1.00000
B11 B 0.58407 0.24788 0.58398 1.00000
B12 B 0.41593 0.75212 0.41602 1.00000
B13 B 0.72204 0.59936 0.27775 1.00000
B14 B 0.59915 0.40064 0.72225 1.00000
B15 B 0.22204 0.77775 0.09936 1.00000
B16 B 0.09915 0.22225 0.90064 1.00000
B17 B 0.27796 0.40064 0.72225 1.00000
B18 B 0.40085 0.59936 0.27775 1.00000
B19 B 0.77796 0.22225 0.90064 1.00000
B20 B 0.90085 0.77775 0.09936 1.00000
B21 B 0.32639 0.97162 0.87274 1.00000
B22 B 0.17075 0.02838 0.12726 1.00000
B23 B 0.82639 0.37274 0.47162 1.00000
B24 B 0.67075 0.62726 0.52838 1.00000
B25 B 0.67361 0.02838 0.12726 1.00000
B26 B 0.82925 0.97162 0.87274 1.00000
B27 B 0.17361 0.62726 0.52838 1.00000
B28 B 0.32925 0.37274 0.47162 1.00000
