LaVB14
Alexandria ALEXAlex-ID: agm005755308 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
LaB6 VB2 B
2023-07-18 14:19:28.905748
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755308).
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 agm005755308
data_agm005755308
_cell_length_a 5.84786
_cell_length_b 7.44482
_cell_length_c 7.44482
_cell_angle_alpha 67.86513
_cell_angle_beta 66.87446
_cell_angle_gamma 66.87446
_cell_volume 264.46425
_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
La1 La 0.25000 0.38129 0.11871 1.00000
La2 La 0.75000 0.61871 0.88129 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
B1 B 0.66694 0.36214 0.30397 1.00000
B2 B 0.33306 0.63786 0.69603 1.00000
B3 B 0.16694 0.80397 0.86214 1.00000
B4 B 0.83306 0.19603 0.13786 1.00000
B5 B 0.12632 0.23966 0.50771 1.00000
B6 B 0.87368 0.76034 0.49229 1.00000
B7 B 0.62632 0.00771 0.73966 1.00000
B8 B 0.37368 0.99229 0.26034 1.00000
B9 B 0.08356 0.08384 0.74905 1.00000
B10 B 0.91644 0.91616 0.25095 1.00000
B11 B 0.58356 0.24905 0.58384 1.00000
B12 B 0.41644 0.75095 0.41616 1.00000
B13 B 0.72099 0.59972 0.27990 1.00000
B14 B 0.60061 0.40028 0.72010 1.00000
B15 B 0.22099 0.77990 0.09972 1.00000
B16 B 0.10061 0.22010 0.90028 1.00000
B17 B 0.27901 0.40028 0.72010 1.00000
B18 B 0.39939 0.59972 0.27990 1.00000
B19 B 0.77901 0.22010 0.90028 1.00000
B20 B 0.89939 0.77990 0.09972 1.00000
B21 B 0.32619 0.97258 0.87277 1.00000
B22 B 0.17153 0.02742 0.12723 1.00000
B23 B 0.82619 0.37277 0.47258 1.00000
B24 B 0.67153 0.62723 0.52742 1.00000
B25 B 0.67381 0.02742 0.12723 1.00000
B26 B 0.82847 0.97258 0.87277 1.00000
B27 B 0.17381 0.62723 0.52742 1.00000
B28 B 0.32847 0.37277 0.47258 1.00000
