Sm20Co8Te7C12
Alexandria ALEXAlex-ID: agm019031869 · Space group: Fm-3m (#225)
Basic Information
Formula
Sm20Co8Te7C12
Alex-ID
agm019031869
Elements
4
Sites
47
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
998.86
ų
Cell a
11.2204
Å
Cell b
11.2204
Å
Cell c
11.2204
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Sm20Co8Te7C12
Sm
20.00 · 42.6%
Co
8.00 · 17.0%
Te
7.00 · 14.9%
C
12.00 · 25.5%
Energy & Stability
Energy above hull
0.0000
eV/atom
Formation energy
-0.6971
eV/atom
Corrected total energy
-316.9038
eV
Raw total energy
-316.9038
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0088
eV
DOS at Fermi level
21.2774
Total magnetisation
0.0001
μB
Additional Information
Prototype ID
A7B8C12D20_0_spg225
Decomposition
Sm20Co8Te7C12
Computed at
2024-10-26 12:31:07.202438
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019031869).
Reference
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
BibTeX
@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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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm019031869
data_agm019031869
_cell_length_a 11.22037
_cell_length_b 11.22037
_cell_length_c 11.22037
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 998.86314
_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 0.65664 0.00000 0.34336 1.00000
Sm2 Sm 0.65664 0.34336 0.00000 1.00000
Sm3 Sm 0.65664 0.00000 0.00000 1.00000
Sm4 Sm 0.00000 0.34336 0.00000 1.00000
Sm5 Sm 0.00000 0.00000 0.34336 1.00000
Sm6 Sm 0.34336 0.00000 0.00000 1.00000
Sm7 Sm 0.00000 0.65664 0.00000 1.00000
Sm8 Sm 0.34336 0.65664 0.00000 1.00000
Sm9 Sm 0.00000 0.65664 0.34336 1.00000
Sm10 Sm 0.34336 0.00000 0.65664 1.00000
Sm11 Sm 0.00000 0.00000 0.65664 1.00000
Sm12 Sm 0.00000 0.34336 0.65664 1.00000
Sm13 Sm 0.91454 0.36182 0.36182 1.00000
Sm14 Sm 0.36182 0.36182 0.36182 1.00000
Sm15 Sm 0.36182 0.91454 0.36182 1.00000
Sm16 Sm 0.36182 0.36182 0.91454 1.00000
Sm17 Sm 0.08546 0.63818 0.63818 1.00000
Sm18 Sm 0.63818 0.63818 0.63818 1.00000
Sm19 Sm 0.63818 0.08546 0.63818 1.00000
Sm20 Sm 0.63818 0.63818 0.08546 1.00000
Co1 Co 0.43672 0.18776 0.18776 1.00000
Co2 Co 0.18776 0.18776 0.18776 1.00000
Co3 Co 0.18776 0.43672 0.18776 1.00000
Co4 Co 0.18776 0.18776 0.43672 1.00000
Co5 Co 0.56328 0.81224 0.81224 1.00000
Co6 Co 0.81224 0.81224 0.81224 1.00000
Co7 Co 0.81224 0.56328 0.81224 1.00000
Co8 Co 0.81224 0.81224 0.56328 1.00000
Te1 Te 0.71266 0.28734 0.71266 1.00000
Te2 Te 0.71266 0.71266 0.28734 1.00000
Te3 Te 0.71266 0.28734 0.28734 1.00000
Te4 Te 0.28734 0.71266 0.28734 1.00000
Te5 Te 0.28734 0.28734 0.71266 1.00000
Te6 Te 0.28734 0.71266 0.71266 1.00000
Te7 Te 0.00000 0.00000 0.00000 1.00000
C1 C 0.39200 0.10800 0.39200 1.00000
C2 C 0.39200 0.39200 0.10800 1.00000
C3 C 0.39200 0.10800 0.10800 1.00000
C4 C 0.10800 0.39200 0.10800 1.00000
C5 C 0.10800 0.10800 0.39200 1.00000
C6 C 0.10800 0.39200 0.39200 1.00000
C7 C 0.60800 0.89200 0.60800 1.00000
C8 C 0.60800 0.60800 0.89200 1.00000
C9 C 0.60800 0.89200 0.89200 1.00000
C10 C 0.89200 0.60800 0.89200 1.00000
C11 C 0.89200 0.89200 0.60800 1.00000
C12 C 0.89200 0.60800 0.60800 1.00000
