Th5Ge4Bi
Alexandria ALEXAlex-ID: agm006126554 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_62_spg12
Th3Ge2Bi ThGe
2023-10-11 02:16:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126554).
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
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# CIF generated by HEAS from Alexandria entry agm006126554
data_agm006126554
_cell_length_a 4.35494
_cell_length_b 7.56329
_cell_length_c 9.76635
_cell_angle_alpha 75.20466
_cell_angle_beta 77.11725
_cell_angle_gamma 73.26772
_cell_volume 293.94215
_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
Th1 Th 0.20520 0.90365 0.68596 1.00000
Th2 Th 0.79480 0.09635 0.31404 1.00000
Th3 Th 0.39068 0.32778 0.89085 1.00000
Th4 Th 0.00000 0.50000 0.50000 1.00000
Th5 Th 0.60932 0.67222 0.10915 1.00000
Ge1 Ge 0.59622 0.20398 0.60359 1.00000
Ge2 Ge 0.20388 0.38856 0.20367 1.00000
Ge3 Ge 0.79612 0.61144 0.79633 1.00000
Ge4 Ge 0.40378 0.79602 0.39641 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
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