SmEr2Bi3
Alexandria ALEXAlex-ID: agm031808949 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
SmEr2Bi3
2025-01-21 23:38:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm031808949).
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 agm031808949
data_agm031808949
_cell_length_a 14.88089
_cell_length_b 14.19283
_cell_length_c 7.75838
_cell_angle_alpha 79.48551
_cell_angle_beta 69.67658
_cell_angle_gamma 30.83791
_cell_volume 764.49874
_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
Sm1 Sm 0.91684 0.91684 0.08316 1.00000
Sm2 Sm 0.33316 0.33316 0.16684 1.00000
Sm3 Sm 0.16684 0.16684 0.33316 1.00000
Sm4 Sm 0.08316 0.08316 0.91684 1.00000
Er1 Er 0.00102 0.00102 0.49898 1.00000
Er2 Er 0.41576 0.41576 0.58424 1.00000
Er3 Er 0.83424 0.83424 0.66576 1.00000
Er4 Er 0.24898 0.24898 0.75102 1.00000
Er5 Er 0.75102 0.75102 0.24898 1.00000
Er6 Er 0.66576 0.66576 0.83424 1.00000
Er7 Er 0.58424 0.58424 0.41576 1.00000
Er8 Er 0.49898 0.49898 0.00102 1.00000
Bi1 Bi 0.66823 0.16730 0.82648 1.00000
Bi2 Bi 0.16730 0.66823 0.33799 1.00000
Bi3 Bi 0.58177 0.08270 0.42352 1.00000
Bi4 Bi 0.08270 0.58177 0.91201 1.00000
Bi5 Bi 0.50632 0.99368 0.99368 1.00000
Bi6 Bi 0.99368 0.50632 0.50632 1.00000
Bi7 Bi 0.91201 0.42352 0.08270 1.00000
Bi8 Bi 0.42352 0.91201 0.58177 1.00000
Bi9 Bi 0.33799 0.82648 0.16730 1.00000
Bi10 Bi 0.82648 0.33799 0.66823 1.00000
Bi11 Bi 0.74368 0.25632 0.25632 1.00000
Bi12 Bi 0.25632 0.74368 0.74368 1.00000
