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Tb7Er2

Alexandria ALEX

Alex-ID: agm009459772 · Space group: C2/m (#12)

Basic Information

Formula
Tb7Er2
Alex-ID
agm009459772
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
283.60
ų
Cell a
3.5749
Å
Cell b
9.4989
Å
Cell c
10.1463
Å
α angle
122.68
°
β angle
79.86
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb7Er2
Tb
7.00 · 77.8%
Er
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0046
eV/atom
Formation energy
0.0012
eV/atom
Corrected total energy
-41.5410
eV
Raw total energy
-41.5410
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.3065
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_131_spg2

Decomposition

Tb5Er4 Tb5Er

Computed at

2024-05-15 21:10:50.107786

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: agm009459772).

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 agm009459772
data_agm009459772
_cell_length_a     3.57493
_cell_length_b     9.49893
_cell_length_c     10.14634
_cell_angle_alpha  122.67940
_cell_angle_beta   79.86423
_cell_angle_gamma  89.99326
_cell_volume       283.59524
_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 0.33331 0.33444 0.33357 1.00000
  Tb2 Tb 0.66669 0.66556 0.66643 1.00000
  Tb3 Tb 0.18616 0.96274 0.62887 1.00000
  Tb4 Tb 0.81384 0.03726 0.37113 1.00000
  Tb5 Tb 0.00000 0.00000 0.00000 1.00000
  Tb6 Tb 0.48095 0.70224 0.03708 1.00000
  Tb7 Tb 0.51905 0.29776 0.96292 1.00000
  Er1 Er 0.14740 0.37031 0.70378 1.00000
  Er2 Er 0.85260 0.62969 0.29622 1.00000
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