Dy20Cr8Te7C12
Alexandria ALEXAlex-ID: agm019016969 · Space group: Fm-3m (#225)
Basic Information
Formula
Dy20Cr8Te7C12
Alex-ID
agm019016969
Elements
4
Sites
47
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
967.95
ų
Cell a
11.1034
Å
Cell b
11.1034
Å
Cell c
11.1034
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Dy20Cr8Te7C12
Dy
20.00 · 42.6%
Cr
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
-0.6740
eV/atom
Corrected total energy
-333.4202
eV
Raw total energy
-333.4202
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
28.7482
Total magnetisation
-0.0018
μB
Additional Information
Prototype ID
A7B8C12D20_0_spg225
Decomposition
Dy20Cr8Te7C12
Computed at
2024-10-15 20:32:52.895644
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: agm019016969).
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 agm019016969
data_agm019016969
_cell_length_a 11.10341
_cell_length_b 11.10341
_cell_length_c 11.10341
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 967.95189
_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
Dy1 Dy 0.00000 0.33978 0.00000 1.00000
Dy2 Dy 0.00000 0.33978 0.66022 1.00000
Dy3 Dy 0.66022 0.33978 0.00000 1.00000
Dy4 Dy 0.33978 0.00000 0.66022 1.00000
Dy5 Dy 0.33978 0.00000 0.00000 1.00000
Dy6 Dy 0.33978 0.66022 0.00000 1.00000
Dy7 Dy 0.66022 0.00000 0.33978 1.00000
Dy8 Dy 0.00000 0.66022 0.33978 1.00000
Dy9 Dy 0.00000 0.00000 0.33978 1.00000
Dy10 Dy 0.00000 0.66022 0.00000 1.00000
Dy11 Dy 0.66022 0.00000 0.00000 1.00000
Dy12 Dy 0.00000 0.00000 0.66022 1.00000
Dy13 Dy 0.63641 0.09078 0.63641 1.00000
Dy14 Dy 0.09078 0.63641 0.63641 1.00000
Dy15 Dy 0.63641 0.63641 0.09078 1.00000
Dy16 Dy 0.63641 0.63641 0.63641 1.00000
Dy17 Dy 0.36359 0.90922 0.36359 1.00000
Dy18 Dy 0.90922 0.36359 0.36359 1.00000
Dy19 Dy 0.36359 0.36359 0.90922 1.00000
Dy20 Dy 0.36359 0.36359 0.36359 1.00000
Cr1 Cr 0.80620 0.58139 0.80620 1.00000
Cr2 Cr 0.58139 0.80620 0.80620 1.00000
Cr3 Cr 0.80620 0.80620 0.58139 1.00000
Cr4 Cr 0.80620 0.80620 0.80620 1.00000
Cr5 Cr 0.19380 0.41861 0.19380 1.00000
Cr6 Cr 0.41861 0.19380 0.19380 1.00000
Cr7 Cr 0.19380 0.19380 0.41861 1.00000
Cr8 Cr 0.19380 0.19380 0.19380 1.00000
Te1 Te 0.71172 0.28828 0.71172 1.00000
Te2 Te 0.71172 0.28828 0.28828 1.00000
Te3 Te 0.28828 0.28828 0.71172 1.00000
Te4 Te 0.28828 0.71172 0.28828 1.00000
Te5 Te 0.28828 0.71172 0.71172 1.00000
Te6 Te 0.71172 0.71172 0.28828 1.00000
Te7 Te 0.00000 0.00000 0.00000 1.00000
C1 C 0.90023 0.59977 0.90023 1.00000
C2 C 0.90023 0.59977 0.59977 1.00000
C3 C 0.59977 0.59977 0.90023 1.00000
C4 C 0.59977 0.90023 0.59977 1.00000
C5 C 0.59977 0.90023 0.90023 1.00000
C6 C 0.90023 0.90023 0.59977 1.00000
C7 C 0.09977 0.40023 0.09977 1.00000
C8 C 0.09977 0.40023 0.40023 1.00000
C9 C 0.40023 0.40023 0.09977 1.00000
C10 C 0.40023 0.09977 0.40023 1.00000
C11 C 0.40023 0.09977 0.09977 1.00000
C12 C 0.09977 0.09977 0.40023 1.00000
