Ba8LaNi4
Alexandria ALEXAlex-ID: agm097914967 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1288_spg8
LaNi5 La3Ni4 Ba
2025-06-17 06:49:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097914967).
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 agm097914967
data_agm097914967
_cell_length_a 4.31076
_cell_length_b 12.21560
_cell_length_c 12.30873
_cell_angle_alpha 61.05106
_cell_angle_beta 79.88283
_cell_angle_gamma 90.07503
_cell_volume 555.54211
_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
Ba1 Ba 0.45478 0.27137 0.16992 1.00000
Ba2 Ba 0.96969 0.65230 0.13474 1.00000
Ba3 Ba 0.30529 0.63162 0.46225 1.00000
Ba4 Ba 0.15677 0.97135 0.76352 1.00000
Ba5 Ba 0.81919 0.95391 0.43740 1.00000
Ba6 Ba 0.80449 0.28965 0.46949 1.00000
Ba7 Ba 0.62702 0.27850 0.82492 1.00000
Ba8 Ba 0.62205 0.59700 0.83298 1.00000
La1 La 0.47876 0.95734 0.11866 1.00000
Ni1 Ni 0.99603 0.11695 0.08920 1.00000
Ni2 Ni 0.05987 0.34264 0.96029 1.00000
Ni3 Ni 0.90413 0.82155 0.26392 1.00000
Ni4 Ni 0.30192 0.11580 0.47271 1.00000
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