Sm6CdNi2Br3
Alexandria ALEXAlex-ID: agm004596563 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Sm3NiBr3 Sm11Cd9Ni4 Sm4CdNi SmNi
2022-06-28 05:33:36.491660
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004596563).
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 agm004596563
data_agm004596563
_cell_length_a 4.03271
_cell_length_b 9.09464
_cell_length_c 9.85651
_cell_angle_alpha 108.01771
_cell_angle_beta 101.80438
_cell_angle_gamma 90.00000
_cell_volume 335.72180
_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 0.33389 0.86977 0.66778 1.00000
Sm2 Sm 0.68081 0.55627 0.36162 1.00000
Sm3 Sm 0.66611 0.13023 0.33222 1.00000
Sm4 Sm 0.01842 0.26594 0.03685 1.00000
Sm5 Sm 0.98158 0.73406 0.96315 1.00000
Sm6 Sm 0.31919 0.44373 0.63838 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
Ni1 Ni 0.83255 0.66061 0.66510 1.00000
Ni2 Ni 0.16745 0.33939 0.33490 1.00000
Br1 Br 0.50000 0.50000 0.00000 1.00000
Br2 Br 0.83561 0.16477 0.67122 1.00000
Br3 Br 0.16439 0.83523 0.32878 1.00000
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