La3Ce2ThBi6
Alexandria ALEXAlex-ID: agm024765041 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_242_spg12
Ce5ThBi6 La5ThBi6
2024-12-03 09:03:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024765041).
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 agm024765041
data_agm024765041
_cell_length_a 8.05710
_cell_length_b 8.05710
_cell_length_c 8.07034
_cell_angle_alpha 80.42557
_cell_angle_beta 99.57443
_cell_angle_gamma 59.99276
_cell_volume 427.83446
_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
La1 La 0.16714 0.16714 0.00000 1.00000
La2 La 0.83286 0.83286 0.00000 1.00000
La3 La 0.50000 0.50000 0.00000 1.00000
Ce1 Ce 0.33350 0.33350 0.50000 1.00000
Ce2 Ce 0.66650 0.66650 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.50000 1.00000
Bi1 Bi 0.41397 0.91877 0.74380 1.00000
Bi2 Bi 0.25130 0.74870 0.25592 1.00000
Bi3 Bi 0.58603 0.08123 0.25620 1.00000
Bi4 Bi 0.08123 0.58603 0.74380 1.00000
Bi5 Bi 0.74870 0.25130 0.74408 1.00000
Bi6 Bi 0.91877 0.41397 0.25620 1.00000
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