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Tb7DyHo2

Alexandria ALEX

Alex-ID: agm044575360 · Space group: P-1 (#2)

Basic Information

Formula
Tb7DyHo2
Alex-ID
agm044575360
Elements
3
Sites
10
Space group
P-1 (#2)
Crystal system
triclinic
Volume
314.53
ų
Cell a
6.1286
Å
Cell b
7.9246
Å
Cell c
7.0958
Å
α angle
103.01
°
β angle
106.72
°
γ angle
97.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb7DyHo2
Tb
7.00 · 70.0%
Dy
1.00 · 10.0%
Ho
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0237
eV/atom
Formation energy
0.0185
eV/atom
Corrected total energy
-46.0018
eV
Raw total energy
-46.0018
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0032
eV
DOS at Fermi level
13.8429
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C7_393_spg71

Decomposition

Tb4DyHo Tb2Ho Tb5Dy

Computed at

2024-11-03 04:33:55.283289

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: agm044575360).

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 agm044575360
data_agm044575360
_cell_length_a     6.12860
_cell_length_b     7.92465
_cell_length_c     7.09585
_cell_angle_alpha  103.00868
_cell_angle_beta   106.72132
_cell_angle_gamma  97.44269
_cell_volume       314.53285
_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 0.39949 0.80020 0.29980 1.00000
  Tb2 Tb 0.60051 0.19980 0.70020 1.00000
  Tb3 Tb 0.19995 0.39958 0.39977 1.00000
  Tb4 Tb 0.80005 0.60042 0.60023 1.00000
  Tb5 Tb 0.79957 0.60005 0.09984 1.00000
  Tb6 Tb 0.20043 0.39995 0.90016 1.00000
  Tb7 Tb 0.00000 0.00000 0.50000 1.00000
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.59978 0.19975 0.19989 1.00000
  Ho2 Ho 0.40022 0.80025 0.80011 1.00000
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