Nd3Tm(ThBi3)2
Alexandria ALEXAlex-ID: agm034902937 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Nd2ThBi3 NdThBi2 Tm4ThBi5
2025-02-05 16:20:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034902937).
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 agm034902937
data_agm034902937
_cell_length_a 10.23462
_cell_length_b 10.23462
_cell_length_c 9.13667
_cell_angle_alpha 76.92853
_cell_angle_beta 103.07147
_cell_angle_gamma 154.05981
_cell_volume 407.21057
_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
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.83186 0.16814 0.16533 1.00000
Nd3 Nd 0.16814 0.83186 0.83467 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Th1 Th 0.83509 0.16491 0.66900 1.00000
Th2 Th 0.16491 0.83509 0.33100 1.00000
Bi1 Bi 0.33696 0.66304 0.91868 1.00000
Bi2 Bi 0.66729 0.33271 0.58307 1.00000
Bi3 Bi 0.66304 0.33696 0.08132 1.00000
Bi4 Bi 0.99895 0.00105 0.24109 1.00000
Bi5 Bi 0.00105 0.99895 0.75891 1.00000
Bi6 Bi 0.33271 0.66729 0.41693 1.00000
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