SmBeC
Alexandria ALEXAlex-ID: agm005658229 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_55_spg62
SmBe13 Sm4C5 Sm2C
2023-06-16 22:00:48.783709
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658229).
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 agm005658229
data_agm005658229
_cell_length_a 5.12989
_cell_length_b 5.43331
_cell_length_c 6.28334
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 175.13100
_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 0.75000 0.63489 0.32263 1.00000
Sm2 Sm 0.25000 0.13489 0.17737 1.00000
Sm3 Sm 0.75000 0.86511 0.82263 1.00000
Sm4 Sm 0.25000 0.36511 0.67737 1.00000
Be1 Be 0.25000 0.83875 0.55539 1.00000
Be2 Be 0.25000 0.66125 0.05539 1.00000
Be3 Be 0.75000 0.16125 0.44461 1.00000
Be4 Be 0.75000 0.33875 0.94461 1.00000
C1 C 0.25000 0.84432 0.82886 1.00000
C2 C 0.75000 0.34432 0.67114 1.00000
C3 C 0.75000 0.15568 0.17114 1.00000
C4 C 0.25000 0.65568 0.32886 1.00000
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