Ho20Fe8Te7C12
Alexandria ALEXAlex-ID: agm019019065 · Space group: Fm-3m (#225)
Basic Information
Formula
Ho20Fe8Te7C12
Alex-ID
agm019019065
Elements
4
Sites
47
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
932.80
ų
Cell a
10.9673
Å
Cell b
10.9673
Å
Cell c
10.9673
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Ho20Fe8Te7C12
Ho
20.00 · 42.6%
Fe
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
-0.7187
eV/atom
Corrected total energy
-325.7284
eV
Raw total energy
-325.7284
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0050
eV
DOS at Fermi level
25.8337
Total magnetisation
4.8811
μB
Additional Information
Prototype ID
A7B8C12D20_0_spg225
Decomposition
Ho20Fe8Te7C12
Computed at
2024-09-13 11:12:28.045999
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: agm019019065).
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 agm019019065
data_agm019019065
_cell_length_a 10.96733
_cell_length_b 10.96733
_cell_length_c 10.96733
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 932.79782
_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
Ho1 Ho 0.15862 0.50000 0.84138 1.00000
Ho2 Ho 0.15862 0.84138 0.50000 1.00000
Ho3 Ho 0.15862 0.50000 0.50000 1.00000
Ho4 Ho 0.50000 0.84138 0.50000 1.00000
Ho5 Ho 0.50000 0.50000 0.84138 1.00000
Ho6 Ho 0.84138 0.50000 0.50000 1.00000
Ho7 Ho 0.50000 0.15862 0.50000 1.00000
Ho8 Ho 0.84138 0.15862 0.50000 1.00000
Ho9 Ho 0.50000 0.15862 0.84138 1.00000
Ho10 Ho 0.84138 0.50000 0.15862 1.00000
Ho11 Ho 0.50000 0.50000 0.15862 1.00000
Ho12 Ho 0.50000 0.84138 0.15862 1.00000
Ho13 Ho 0.41801 0.86066 0.86066 1.00000
Ho14 Ho 0.86066 0.86066 0.86066 1.00000
Ho15 Ho 0.86066 0.41801 0.86066 1.00000
Ho16 Ho 0.86066 0.86066 0.41801 1.00000
Ho17 Ho 0.58199 0.13934 0.13934 1.00000
Ho18 Ho 0.13934 0.13934 0.13934 1.00000
Ho19 Ho 0.13934 0.58199 0.13934 1.00000
Ho20 Ho 0.13934 0.13934 0.58199 1.00000
Fe1 Fe 0.93311 0.68896 0.68896 1.00000
Fe2 Fe 0.68896 0.68896 0.68896 1.00000
Fe3 Fe 0.68896 0.93311 0.68896 1.00000
Fe4 Fe 0.68896 0.68896 0.93311 1.00000
Fe5 Fe 0.06689 0.31104 0.31104 1.00000
Fe6 Fe 0.31104 0.31104 0.31104 1.00000
Fe7 Fe 0.31104 0.06689 0.31104 1.00000
Fe8 Fe 0.31104 0.31104 0.06689 1.00000
Te1 Te 0.21083 0.78917 0.21083 1.00000
Te2 Te 0.21083 0.21083 0.78917 1.00000
Te3 Te 0.21083 0.78917 0.78917 1.00000
Te4 Te 0.78917 0.21083 0.78917 1.00000
Te5 Te 0.78917 0.78917 0.21083 1.00000
Te6 Te 0.78917 0.21083 0.21083 1.00000
Te7 Te 0.50000 0.50000 0.50000 1.00000
C1 C 0.89645 0.60355 0.89645 1.00000
C2 C 0.89645 0.89645 0.60355 1.00000
C3 C 0.89645 0.60355 0.60355 1.00000
C4 C 0.60355 0.89645 0.60355 1.00000
C5 C 0.60355 0.60355 0.89645 1.00000
C6 C 0.60355 0.89645 0.89645 1.00000
C7 C 0.10355 0.39645 0.10355 1.00000
C8 C 0.10355 0.10355 0.39645 1.00000
C9 C 0.10355 0.39645 0.39645 1.00000
C10 C 0.39645 0.10355 0.39645 1.00000
C11 C 0.39645 0.39645 0.10355 1.00000
C12 C 0.39645 0.10355 0.10355 1.00000
