AcSm3C8
Alexandria ALEXAlex-ID: agm005972079 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_191_spg121
AcC6 Sm4C5 AcC2
2023-09-11 18:45:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005972079).
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 agm005972079
data_agm005972079
_cell_length_a 6.46788
_cell_length_b 6.46858
_cell_length_c 6.46883
_cell_angle_alpha 67.15255
_cell_angle_beta 77.08504
_cell_angle_gamma 112.84190
_cell_volume 206.33196
_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
Ac1 Ac 0.00017 0.00000 0.99977 1.00000
Sm1 Sm 0.74994 0.50001 0.75008 1.00000
Sm2 Sm 0.24993 0.49999 0.25009 1.00000
Sm3 Sm 0.50014 1.00000 0.49992 1.00000
C1 C 0.08415 1.00000 0.56347 1.00000
C2 C 0.56312 0.64761 0.43693 1.00000
C3 C 0.91551 0.35239 0.08455 1.00000
C4 C 0.43649 0.00000 0.91589 1.00000
C5 C 0.88224 1.00000 0.57391 1.00000
C6 C 0.57472 0.45709 0.42533 1.00000
C7 C 0.11763 0.54291 0.88242 1.00000
C8 C 0.42614 1.00000 0.11776 1.00000
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