Ca3Tb5Bi8
Alexandria ALEXAlex-ID: agm009036610 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8_3_spg166
Ca11Bi10 TbBi CaBi2
2024-03-10 04:24:39.995001
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009036610).
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 agm009036610
data_agm009036610
_cell_length_a 9.15799
_cell_length_b 9.15799
_cell_length_c 9.15799
_cell_angle_alpha 58.94524
_cell_angle_beta 58.94524
_cell_angle_gamma 58.94524
_cell_volume 530.03574
_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
Ca1 Ca 0.00000 0.00000 0.50000 1.00000
Ca2 Ca 0.50000 0.00000 0.00000 1.00000
Ca3 Ca 0.00000 0.50000 0.00000 1.00000
Tb1 Tb 0.50000 0.00000 0.50000 1.00000
Tb2 Tb 0.00000 0.50000 0.50000 1.00000
Tb3 Tb 0.00000 0.00000 0.00000 1.00000
Tb4 Tb 0.50000 0.50000 0.00000 1.00000
Tb5 Tb 0.50000 0.50000 0.50000 1.00000
Bi1 Bi 0.74421 0.25008 0.25008 1.00000
Bi2 Bi 0.25008 0.74421 0.25008 1.00000
Bi3 Bi 0.25008 0.25008 0.74421 1.00000
Bi4 Bi 0.74645 0.74645 0.74645 1.00000
Bi5 Bi 0.25579 0.74992 0.74992 1.00000
Bi6 Bi 0.74992 0.25579 0.74992 1.00000
Bi7 Bi 0.74992 0.74992 0.25579 1.00000
Bi8 Bi 0.25355 0.25355 0.25355 1.00000
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