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Ho7(TeAu)2

Alexandria ALEX

Alex-ID: agm003229062 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Ho7(TeAu)2
Alex-ID
agm003229062
Elements
3
Sites
22
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
605.54
ų
Cell a
9.3171
Å
Cell b
9.3171
Å
Cell c
17.1838
Å
α angle
75.86
°
β angle
75.86
°
γ angle
24.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho7(TeAu)2
Ho
14.00 · 63.6%
Te
4.00 · 18.2%
Au
4.00 · 18.2%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8303
eV/atom
Corrected total energy
-108.0412
eV
Raw total energy
-108.0412
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0212
eV
DOS at Fermi level
21.4449
Total magnetisation
0.2898
μB

Additional Information

Prototype ID

A2B2C7_97_spg12

Decomposition

Ho7(TeAu)2

Computed at

2021-12-19 19:34:13.457086

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: agm003229062).

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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm003229062
data_agm003229062
_cell_length_a     9.31707
_cell_length_b     9.31707
_cell_length_c     17.18376
_cell_angle_alpha  75.85617
_cell_angle_beta   75.85617
_cell_angle_gamma  24.78896
_cell_volume       605.53871
_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 0.00011 0.00011 0.66805 1.00000
  Ho2 Ho 0.99989 0.99989 0.33195 1.00000
  Ho3 Ho 0.17580 0.17580 0.46780 1.00000
  Ho4 Ho 0.82420 0.82420 0.53220 1.00000
  Ho5 Ho 0.19052 0.19052 0.67953 1.00000
  Ho6 Ho 0.80948 0.80948 0.32047 1.00000
  Ho7 Ho 0.33830 0.33830 0.98217 1.00000
  Ho8 Ho 0.66170 0.66170 0.01783 1.00000
  Ho9 Ho 0.57320 0.57320 0.82779 1.00000
  Ho10 Ho 0.42680 0.42680 0.17221 1.00000
  Ho11 Ho 0.77970 0.77970 0.80533 1.00000
  Ho12 Ho 0.22030 0.22030 0.19467 1.00000
  Ho13 Ho 0.50000 0.50000 0.50000 1.00000
  Ho14 Ho 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.36574 0.36574 0.66214 1.00000
  Te2 Te 0.63426 0.63426 0.33786 1.00000
  Te3 Te 0.06662 0.06662 0.14904 1.00000
  Te4 Te 0.93338 0.93338 0.85096 1.00000
  Au1 Au 0.16897 0.16897 0.88805 1.00000
  Au2 Au 0.83103 0.83103 0.11195 1.00000
  Au3 Au 0.38267 0.38267 0.39942 1.00000
  Au4 Au 0.61733 0.61733 0.60058 1.00000
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