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Ho8Tc2Ag

Alexandria ALEX

Alex-ID: agm006019149 · Space group: Cm (#8)

Basic Information

Formula
Ho8Tc2Ag
Alex-ID
agm006019149
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
297.36
ų
Cell a
5.6006
Å
Cell b
7.7073
Å
Cell c
7.7073
Å
α angle
111.71
°
β angle
98.81
°
γ angle
98.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Tc2Ag
Ho
8.00 · 72.7%
Tc
2.00 · 18.2%
Ag
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0873
eV/atom
Formation energy
-0.0611
eV/atom
Corrected total energy
-60.8835
eV
Raw total energy
-60.8835
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.1642
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_281_spg12

Decomposition

Ho3Tc Ho HoAg

Computed at

2023-10-01 09:17:14

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: agm006019149).

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 agm006019149
data_agm006019149
_cell_length_a     5.60060
_cell_length_b     7.70734
_cell_length_c     7.70734
_cell_angle_alpha  111.71460
_cell_angle_beta   98.80665
_cell_angle_gamma  98.80665
_cell_volume       297.36226
_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 0.58714 0.33574 0.07124 1.00000
  Ho2 Ho 0.58714 0.07124 0.33574 1.00000
  Ho3 Ho 0.19488 0.38267 0.38267 1.00000
  Ho4 Ho 0.99827 0.24039 0.76709 1.00000
  Ho5 Ho 0.99827 0.76709 0.24039 1.00000
  Ho6 Ho 0.80035 0.62157 0.62157 1.00000
  Ho7 Ho 0.40989 0.93557 0.67166 1.00000
  Ho8 Ho 0.40989 0.67166 0.93557 1.00000
  Tc1 Tc 0.49737 0.68981 0.31648 1.00000
  Tc2 Tc 0.49737 0.31648 0.68981 1.00000
  Ag1 Ag 0.01910 0.00171 0.00171 1.00000
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