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TbHoZn6

Alexandria ALEX

Alex-ID: agm005806385 · Space group: Amm2 (#38)

Basic Information

Formula
TbHoZn6
Alex-ID
agm005806385
Elements
3
Sites
8
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
150.03
ų
Cell a
4.4016
Å
Cell b
6.1425
Å
Cell c
6.1425
Å
α angle
115.39
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbHoZn6
Tb
1.00 · 12.5%
Ho
1.00 · 12.5%
Zn
6.00 · 75.0%

Energy & Stability

Energy above hull
0.0405
eV/atom
Formation energy
-0.3109
eV/atom
Corrected total energy
-19.3673
eV
Raw total energy
-19.3673
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0038
eV
DOS at Fermi level
3.1610
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC6_547_spg38

Decomposition

TbZn3 HoZn3

Computed at

2023-07-25 09:02:10.292688

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: agm005806385).

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 agm005806385
data_agm005806385
_cell_length_a     4.40164
_cell_length_b     6.14250
_cell_length_c     6.14250
_cell_angle_alpha  115.39236
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       150.03149
_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
  Tb1 Tb 0.50000 0.39614 0.60386 1.00000
  Ho1 Ho 0.00000 0.10343 0.89657 1.00000
  Zn1 Zn 0.00000 0.03979 0.37029 1.00000
  Zn2 Zn 0.00000 0.62971 0.96021 1.00000
  Zn3 Zn 0.00000 0.59033 0.40967 1.00000
  Zn4 Zn 0.50000 0.45851 0.12911 1.00000
  Zn5 Zn 0.50000 0.87089 0.54149 1.00000
  Zn6 Zn 0.50000 0.91089 0.08911 1.00000
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