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Tb8Mg2Zn

Alexandria ALEX

Alex-ID: agm003531397 · Space group: C2/m (#12)

Basic Information

Formula
Tb8Mg2Zn
Alex-ID
agm003531397
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
320.62
ų
Cell a
5.3511
Å
Cell b
6.9524
Å
Cell c
9.3716
Å
α angle
105.65
°
β angle
106.59
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Mg2Zn
Tb
8.00 · 72.7%
Mg
2.00 · 18.2%
Zn
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0965
eV/atom
Formation energy
0.0011
eV/atom
Corrected total energy
-41.5138
eV
Raw total energy
-41.5138
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0143
eV
DOS at Fermi level
12.5677
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

Tb2Zn Tb2Mg Tb

Computed at

2022-03-15 20:28:02.264743

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: agm003531397).

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 agm003531397
data_agm003531397
_cell_length_a     5.35108
_cell_length_b     6.95238
_cell_length_c     9.37161
_cell_angle_alpha  105.65444
_cell_angle_beta   106.58839
_cell_angle_gamma  90.00000
_cell_volume       320.62167
_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 0.40580 0.55334 0.81159 1.00000
  Tb2 Tb 0.65782 0.95661 0.31565 1.00000
  Tb3 Tb 0.80549 0.72492 0.61098 1.00000
  Tb4 Tb 0.98019 0.22797 0.96039 1.00000
  Tb5 Tb 0.19451 0.27508 0.38902 1.00000
  Tb6 Tb 0.34218 0.04339 0.68435 1.00000
  Tb7 Tb 0.59420 0.44666 0.18841 1.00000
  Tb8 Tb 0.01981 0.77203 0.03961 1.00000
  Mg1 Mg 0.81276 0.28699 0.62551 1.00000
  Mg2 Mg 0.18724 0.71301 0.37449 1.00000
  Zn1 Zn 0.50000 0.00000 0.00000 1.00000
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