Ce20Mn8Te7C12
Alexandria ALEXAlex-ID: agm019059172 · Space group: Fm-3m (#225)
Basic Information
Formula
Ce20Mn8Te7C12
Alex-ID
agm019059172
Elements
4
Sites
47
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
999.37
ų
Cell a
11.2223
Å
Cell b
11.2223
Å
Cell c
11.2223
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Ce20Mn8Te7C12
Ce
20.00 · 42.6%
Mn
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
-0.6510
eV/atom
Corrected total energy
-355.3105
eV
Raw total energy
-355.3105
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
78.6233
Total magnetisation
12.0891
μB
Additional Information
Prototype ID
A7B8C12D20_0_spg225
Decomposition
Ce20Mn8Te7C12
Computed at
2024-10-26 13:34:17.155946
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: agm019059172).
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 agm019059172
data_agm019059172
_cell_length_a 11.22226
_cell_length_b 11.22226
_cell_length_c 11.22226
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 999.36876
_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
Ce1 Ce 0.66009 0.00000 0.33991 1.00000
Ce2 Ce 0.66009 0.33991 0.00000 1.00000
Ce3 Ce 0.66009 0.00000 0.00000 1.00000
Ce4 Ce 0.00000 0.33991 0.00000 1.00000
Ce5 Ce 0.00000 0.00000 0.33991 1.00000
Ce6 Ce 0.33991 0.00000 0.00000 1.00000
Ce7 Ce 0.00000 0.66009 0.00000 1.00000
Ce8 Ce 0.33991 0.66009 0.00000 1.00000
Ce9 Ce 0.00000 0.66009 0.33991 1.00000
Ce10 Ce 0.33991 0.00000 0.66009 1.00000
Ce11 Ce 0.00000 0.00000 0.66009 1.00000
Ce12 Ce 0.00000 0.33991 0.66009 1.00000
Ce13 Ce 0.91135 0.36288 0.36288 1.00000
Ce14 Ce 0.36288 0.36288 0.36288 1.00000
Ce15 Ce 0.36288 0.91135 0.36288 1.00000
Ce16 Ce 0.36288 0.36288 0.91135 1.00000
Ce17 Ce 0.08865 0.63712 0.63712 1.00000
Ce18 Ce 0.63712 0.63712 0.63712 1.00000
Ce19 Ce 0.63712 0.08865 0.63712 1.00000
Ce20 Ce 0.63712 0.63712 0.08865 1.00000
Mn1 Mn 0.42278 0.19241 0.19241 1.00000
Mn2 Mn 0.19241 0.19241 0.19241 1.00000
Mn3 Mn 0.19241 0.42278 0.19241 1.00000
Mn4 Mn 0.19241 0.19241 0.42278 1.00000
Mn5 Mn 0.57722 0.80759 0.80759 1.00000
Mn6 Mn 0.80759 0.80759 0.80759 1.00000
Mn7 Mn 0.80759 0.57722 0.80759 1.00000
Mn8 Mn 0.80759 0.80759 0.57722 1.00000
Te1 Te 0.71043 0.28957 0.71043 1.00000
Te2 Te 0.71043 0.71043 0.28957 1.00000
Te3 Te 0.71043 0.28957 0.28957 1.00000
Te4 Te 0.28957 0.71043 0.28957 1.00000
Te5 Te 0.28957 0.28957 0.71043 1.00000
Te6 Te 0.28957 0.71043 0.71043 1.00000
Te7 Te 0.00000 0.00000 0.00000 1.00000
C1 C 0.39801 0.10199 0.39801 1.00000
C2 C 0.39801 0.39801 0.10199 1.00000
C3 C 0.39801 0.10199 0.10199 1.00000
C4 C 0.10199 0.39801 0.10199 1.00000
C5 C 0.10199 0.10199 0.39801 1.00000
C6 C 0.10199 0.39801 0.39801 1.00000
C7 C 0.60199 0.89801 0.60199 1.00000
C8 C 0.60199 0.60199 0.89801 1.00000
C9 C 0.60199 0.89801 0.89801 1.00000
C10 C 0.89801 0.60199 0.89801 1.00000
C11 C 0.89801 0.89801 0.60199 1.00000
C12 C 0.89801 0.60199 0.60199 1.00000
