Tb2Pm(ThBi2)3
Alexandria ALEXAlex-ID: agm030891773 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_242_spg12
Tb3ThBi4 Pm3ThBi4 PmTh3Bi4
2024-12-11 20:34:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030891773).
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 agm030891773
data_agm030891773
_cell_length_a 7.91044
_cell_length_b 7.91044
_cell_length_c 7.86784
_cell_angle_alpha 80.34742
_cell_angle_beta 99.65258
_cell_angle_gamma 60.09443
_cell_volume 402.13633
_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
Tb1 Tb 0.33251 0.33251 0.00000 1.00000
Tb2 Tb 0.66749 0.66749 0.00000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.16464 0.16464 0.50000 1.00000
Th2 Th 0.83536 0.83536 0.50000 1.00000
Th3 Th 0.50000 0.50000 0.50000 1.00000
Bi1 Bi 0.41863 0.91817 0.24483 1.00000
Bi2 Bi 0.25666 0.74334 0.75801 1.00000
Bi3 Bi 0.58137 0.08183 0.75517 1.00000
Bi4 Bi 0.08183 0.58137 0.24483 1.00000
Bi5 Bi 0.74334 0.25666 0.24199 1.00000
Bi6 Bi 0.91817 0.41863 0.75517 1.00000
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