Ba3Li7Sb4
Alexandria ALEXAlex-ID: agm005702865 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Ba(Li2Sb)2 BaLiSb Li
2023-06-29 16:33:49.018036
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702865).
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 agm005702865
data_agm005702865
_cell_length_a 4.95867
_cell_length_b 9.59285
_cell_length_c 9.41567
_cell_angle_alpha 65.26240
_cell_angle_beta 74.73284
_cell_angle_gamma 75.02150
_cell_volume 386.76633
_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 0.29531 0.19999 0.20939 1.00000
Ba2 Ba 0.70469 0.80001 0.79061 1.00000
Ba3 Ba 0.00000 0.50000 0.50000 1.00000
Li1 Li 0.32475 0.82869 0.52181 1.00000
Li2 Li 0.50754 0.20283 0.78208 1.00000
Li3 Li 0.82495 0.41636 0.93374 1.00000
Li4 Li 0.67525 0.17131 0.47819 1.00000
Li5 Li 0.17505 0.58364 0.06626 1.00000
Li6 Li 0.00000 0.00000 0.00000 1.00000
Li7 Li 0.49246 0.79717 0.21792 1.00000
Sb1 Sb 0.64693 0.48852 0.21761 1.00000
Sb2 Sb 0.35307 0.51148 0.78239 1.00000
Sb3 Sb 0.87737 0.91342 0.33183 1.00000
Sb4 Sb 0.12263 0.08658 0.66817 1.00000
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