La2ThBi3
Alexandria ALEXAlex-ID: agm032080098 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_433_spg8
La2ThBi3
2024-12-03 08:48:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032080098).
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 agm032080098
data_agm032080098
_cell_length_a 10.43127
_cell_length_b 10.43127
_cell_length_c 9.34109
_cell_angle_alpha 76.98686
_cell_angle_beta 103.01314
_cell_angle_gamma 154.18147
_cell_volume 430.69816
_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 0.50000 0.50000 0.50000 1.00000
La2 La 0.16547 0.83453 0.83345 1.00000
La3 La 0.83453 0.16547 0.16655 1.00000
La4 La 0.50000 0.50000 0.00000 1.00000
Th1 Th 0.16656 0.83344 0.33254 1.00000
Th2 Th 0.83344 0.16656 0.66746 1.00000
Bi1 Bi 0.66719 0.33281 0.08796 1.00000
Bi2 Bi 0.33199 0.66801 0.42004 1.00000
Bi3 Bi 0.33281 0.66719 0.91204 1.00000
Bi4 Bi 0.99783 0.00217 0.74863 1.00000
Bi5 Bi 0.00217 0.99783 0.25137 1.00000
Bi6 Bi 0.66801 0.33199 0.57996 1.00000
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