NdSm3(TmBi3)2
Alexandria ALEXAlex-ID: agm028964732 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_594_spg8
NdSm3Bi4 TmBi
2025-02-28 00:49:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm028964732).
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 agm028964732
data_agm028964732
_cell_length_a 7.84391
_cell_length_b 7.84391
_cell_length_c 7.83684
_cell_angle_alpha 80.38757
_cell_angle_beta 99.61243
_cell_angle_gamma 59.97721
_cell_volume 393.49458
_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 0.00000 0.00000 0.50000 1.00000
Sm1 Sm 0.16359 0.16359 0.00000 1.00000
Sm2 Sm 0.83641 0.83641 0.00000 1.00000
Sm3 Sm 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.33222 0.33222 0.50000 1.00000
Tm2 Tm 0.66778 0.66778 0.50000 1.00000
Bi1 Bi 0.42230 0.91766 0.74632 1.00000
Bi2 Bi 0.25957 0.74043 0.25701 1.00000
Bi3 Bi 0.57770 0.08234 0.25368 1.00000
Bi4 Bi 0.08234 0.57770 0.74632 1.00000
Bi5 Bi 0.74043 0.25957 0.74299 1.00000
Bi6 Bi 0.91766 0.42230 0.25368 1.00000
Get direct link