Li2(CaBi)5
Alexandria ALEXAlex-ID: agm005652499 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_26_spg12
Ca11Bi10 LiCaBi CaBi2
2023-06-19 02:24:57.666207
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652499).
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 agm005652499
data_agm005652499
_cell_length_a 4.68730
_cell_length_b 8.67270
_cell_length_c 9.42853
_cell_angle_alpha 81.83046
_cell_angle_beta 75.60708
_cell_angle_gamma 74.32187
_cell_volume 356.28646
_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
Li1 Li 0.86136 0.54889 0.72838 1.00000
Li2 Li 0.13864 0.45111 0.27162 1.00000
Ca1 Ca 0.50000 0.50000 0.50000 1.00000
Ca2 Ca 0.39419 0.29600 0.91563 1.00000
Ca3 Ca 0.31344 0.05330 0.31982 1.00000
Ca4 Ca 0.68656 0.94670 0.68018 1.00000
Ca5 Ca 0.60581 0.70400 0.08437 1.00000
Bi1 Bi 0.93471 0.76223 0.36834 1.00000
Bi2 Bi 0.24911 0.68246 0.81931 1.00000
Bi3 Bi 0.75089 0.31754 0.18069 1.00000
Bi4 Bi 0.06529 0.23777 0.63166 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
Get direct link