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Tb2Ho2Er2Tm

Alexandria ALEX

Alex-ID: agm017273780 · Space group: C2/m (#12)

Basic Information

Formula
Tb2Ho2Er2Tm
Alex-ID
agm017273780
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
215.20
ų
Cell a
3.5087
Å
Cell b
7.8775
Å
Cell c
8.6186
Å
α angle
111.49
°
β angle
89.91
°
γ angle
102.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Ho2Er2Tm
Tb
2.00 · 28.6%
Ho
2.00 · 28.6%
Er
2.00 · 28.6%
Tm
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0279
eV/atom
Formation energy
0.0213
eV/atom
Corrected total energy
-31.8698
eV
Raw total energy
-31.8698
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.0148
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_13_spg12

Decomposition

Er2Tm Tb2Ho5Er2 Tb2Ho ErTm2

Computed at

2025-06-28 04:24:22

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: agm017273780).

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 agm017273780
data_agm017273780
_cell_length_a     3.50874
_cell_length_b     7.87752
_cell_length_c     8.61864
_cell_angle_alpha  111.49015
_cell_angle_beta   89.91005
_cell_angle_gamma  102.92213
_cell_volume       215.19653
_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 0.92814 0.35685 0.78478 1.00000
  Tb2 Tb 0.07186 0.64315 0.21522 1.00000
  Ho1 Ho 0.64356 0.78633 0.92828 1.00000
  Ho2 Ho 0.35644 0.21367 0.07172 1.00000
  Er1 Er 0.78628 0.07256 0.35791 1.00000
  Er2 Er 0.21372 0.92744 0.64209 1.00000
  Tm1 Tm 0.50000 0.50000 0.50000 1.00000
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