Y2ThBi3
Alexandria ALEXAlex-ID: agm032160388 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4637_spg74
Y3ThBi4 Th2Bi Th3Bi4
2025-01-19 11:38:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032160388).
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 agm032160388
data_agm032160388
_cell_length_a 10.09886
_cell_length_b 10.09886
_cell_length_c 9.01579
_cell_angle_alpha 77.23940
_cell_angle_beta 102.76060
_cell_angle_gamma 154.00138
_cell_volume 392.56713
_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
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.83249 0.16751 0.66552 1.00000
Y3 Y 0.16751 0.83249 0.33448 1.00000
Y4 Y 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.83466 0.16534 0.16873 1.00000
Th2 Th 0.16534 0.83466 0.83127 1.00000
Bi1 Bi 0.33391 0.66609 0.42303 1.00000
Bi2 Bi 0.66511 0.33489 0.08820 1.00000
Bi3 Bi 0.66609 0.33391 0.57697 1.00000
Bi4 Bi 0.99744 0.00256 0.74874 1.00000
Bi5 Bi 0.00256 0.99744 0.25126 1.00000
Bi6 Bi 0.33489 0.66511 0.91180 1.00000
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