Sm2CdC2
Alexandria ALEXAlex-ID: agm005873530 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1473_spg15
Sm2CdC2
2023-08-03 11:52:48.368394
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005873530).
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
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# CIF generated by HEAS from Alexandria entry agm005873530
data_agm005873530
_cell_length_a 4.04639
_cell_length_b 6.93076
_cell_length_c 8.29176
_cell_angle_alpha 113.47311
_cell_angle_beta 104.12277
_cell_angle_gamma 90.00000
_cell_volume 205.61007
_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 0.51049 0.90003 0.69205 1.00000
Sm2 Sm 0.18156 0.40003 0.69205 1.00000
Sm3 Sm 0.48951 0.09997 0.30795 1.00000
Sm4 Sm 0.81844 0.59997 0.30795 1.00000
Cd1 Cd 0.09070 0.25000 1.00000 1.00000
Cd2 Cd 0.90930 0.75000 0.00000 1.00000
C1 C 0.35452 0.51565 0.44797 1.00000
C2 C 0.90655 0.98435 0.55203 1.00000
C3 C 0.64548 0.48435 0.55203 1.00000
C4 C 0.09345 0.01565 0.44797 1.00000
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