La3Ni7B2
Alexandria ALEXAlex-ID: agm002199587 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
LaNi3B La3Ni4 La2NiB10
2018-07-16 22:29:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199587).
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 agm002199587
data_agm002199587
_cell_length_a 5.24316
_cell_length_b 5.24316
_cell_length_c 7.86669
_cell_angle_alpha 70.58832
_cell_angle_beta 70.58832
_cell_angle_gamma 60.00382
_cell_volume 172.95269
_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
Ni1 Ni 0.06148 0.57101 0.30580 1.00000
Ni2 Ni 0.57101 0.06148 0.30580 1.00000
Ni3 Ni 0.06116 0.06116 0.30607 1.00000
Ni4 Ni 0.93884 0.93884 0.69393 1.00000
Ni5 Ni 0.42899 0.93852 0.69420 1.00000
Ni6 Ni 0.93852 0.42899 0.69420 1.00000
Ni7 Ni 0.00000 0.00000 0.00000 1.00000
B1 B 0.83003 0.83003 0.50904 1.00000
B2 B 0.16997 0.16997 0.49096 1.00000
La1 La 0.64615 0.64615 0.06172 1.00000
La2 La 0.35385 0.35385 0.93828 1.00000
La3 La 0.50000 0.50000 0.50000 1.00000
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