Cr(Sn2Bi)4
Alexandria ALEXAlex-ID: agm097437342 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_543_spg12
Cr Sn Bi
2025-06-13 10:31:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097437342).
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 agm097437342
data_agm097437342
_cell_length_a 5.55613
_cell_length_b 8.95140
_cell_length_c 8.95174
_cell_angle_alpha 60.01302
_cell_angle_beta 89.95767
_cell_angle_gamma 89.96082
_cell_volume 385.61893
_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
Cr1 Cr 0.49988 0.00195 0.99795 1.00000
Sn1 Sn 0.65222 0.18133 0.16682 1.00000
Sn2 Sn 0.64092 0.65022 0.17103 1.00000
Sn3 Sn 0.67073 0.65822 0.67546 1.00000
Sn4 Sn 0.66461 0.17657 0.65359 1.00000
Sn5 Sn 0.35952 0.82849 0.34991 1.00000
Sn6 Sn 0.32946 0.32485 0.34211 1.00000
Sn7 Sn 0.33582 0.34657 0.82295 1.00000
Sn8 Sn 0.34687 0.83319 0.81870 1.00000
Bi1 Bi 0.99992 0.99177 0.00859 1.00000
Bi2 Bi 0.00850 0.50209 0.00308 1.00000
Bi3 Bi 0.99971 0.50765 0.49241 1.00000
Bi4 Bi 0.99183 0.99712 0.49740 1.00000
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