Ac3SmC8
Alexandria ALEXAlex-ID: agm005972071 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_191_spg121
AcC6 Sm4C5 AcC2
2023-09-11 18:44:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005972071).
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 agm005972071
data_agm005972071
_cell_length_a 6.75860
_cell_length_b 6.76397
_cell_length_c 6.75928
_cell_angle_alpha 69.02509
_cell_angle_beta 73.52400
_cell_angle_gamma 110.97092
_cell_volume 237.48300
_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 0.74917 0.49999 0.75086 1.00000
Ac2 Ac 0.24918 0.50001 0.25085 1.00000
Ac3 Ac 0.49989 1.00000 0.50017 1.00000
Sm1 Sm 0.99987 0.00000 0.00003 1.00000
C1 C 0.05101 0.00000 0.62915 1.00000
C2 C 0.62960 0.68009 0.37046 1.00000
C3 C 0.94951 0.31991 0.05055 1.00000
C4 C 0.37069 0.00000 0.94913 1.00000
C5 C 0.86524 0.00000 0.61221 1.00000
C6 C 0.61293 0.47772 0.38711 1.00000
C7 C 0.13521 0.52228 0.86483 1.00000
C8 C 0.38786 0.00000 0.13479 1.00000
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