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Tb3Y8Tm

Alexandria ALEX

Alex-ID: agm017015480 · Space group: Pm (#6)

Basic Information

Formula
Tb3Y8Tm
Alex-ID
agm017015480
Elements
3
Sites
12
Space group
Pm (#6)
Crystal system
monoclinic
Volume
384.34
ų
Cell a
8.8383
Å
Cell b
3.5944
Å
Cell c
12.4453
Å
α angle
90.00
°
β angle
103.56
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3Y8Tm
Tb
3.00 · 25.0%
Y
8.00 · 66.7%
Tm
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0054
eV/atom
Formation energy
-0.0001
eV/atom
Corrected total energy
-70.0744
eV
Raw total energy
-70.0744
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0081
eV
DOS at Fermi level
17.1065
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB3C8_427_spg8

Decomposition

Tb2Y7 Tb5Y Y5Tm

Computed at

2024-12-30 06:29:46

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: agm017015480).

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 agm017015480
data_agm017015480
_cell_length_a     8.83825
_cell_length_b     3.59437
_cell_length_c     12.44529
_cell_angle_alpha  90.00000
_cell_angle_beta   103.56361
_cell_angle_gamma  90.00000
_cell_volume       384.33514
_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 0.00536 0.00000 0.12610 1.00000
  Tb2 Tb 0.66908 0.00000 0.73625 1.00000
  Tb3 Tb 0.00257 0.50000 0.87560 1.00000
  Y1 Y 0.33588 0.00000 0.01510 1.00000
  Y2 Y 0.00190 0.50000 0.37428 1.00000
  Y3 Y 0.66527 0.00000 0.23625 1.00000
  Y4 Y 0.66728 0.50000 0.48582 1.00000
  Y5 Y 0.33677 0.00000 0.51278 1.00000
  Y6 Y 0.33794 0.50000 0.76420 1.00000
  Y7 Y 0.66965 0.50000 0.98697 1.00000
  Y8 Y 0.00312 0.00000 0.62563 1.00000
  Tm1 Tm 0.33549 0.50000 0.26445 1.00000
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