Na3(CaBi2)2
Alexandria ALEXAlex-ID: agm005667756 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_140_spg12
Na2CaBi3 Ca11Bi10 Na3Bi
2023-06-27 10:55:22.842465
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667756).
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 agm005667756
data_agm005667756
_cell_length_a 4.97669
_cell_length_b 5.60302
_cell_length_c 11.23947
_cell_angle_alpha 79.07243
_cell_angle_beta 89.88430
_cell_angle_gamma 63.59478
_cell_volume 274.41045
_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
Na1 Na 0.34091 0.31676 0.43490 1.00000
Na2 Na 0.00000 0.00000 0.00000 1.00000
Na3 Na 0.65909 0.68324 0.56510 1.00000
Ca1 Ca 0.33890 0.32248 0.78467 1.00000
Ca2 Ca 0.66110 0.67752 0.21533 1.00000
Bi1 Bi 0.67464 0.64818 0.90334 1.00000
Bi2 Bi 0.00148 0.99486 0.34083 1.00000
Bi3 Bi 0.99852 0.00514 0.65917 1.00000
Bi4 Bi 0.32536 0.35182 0.09666 1.00000
Get direct link