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Tb(ErAg)2

Alexandria ALEX

Alex-ID: agm003399433 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
Tb(ErAg)2
Alex-ID
agm003399433
Elements
3
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
274.94
ų
Cell a
4.8603
Å
Cell b
5.2367
Å
Cell c
10.8315
Å
α angle
94.20
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(ErAg)2
Tb
2.00 · 20.0%
Er
4.00 · 40.0%
Ag
4.00 · 40.0%

Energy & Stability

Energy above hull
0.1700
eV/atom
Formation energy
-0.0970
eV/atom
Corrected total energy
-39.8915
eV
Raw total energy
-39.8915
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.3417
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_8_spg129

Decomposition

Tb5Er4 TbEr5Ag6 Tb5Er

Computed at

2022-02-09 16:49:39.429369

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: agm003399433).

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 agm003399433
data_agm003399433
_cell_length_a     4.86028
_cell_length_b     5.23668
_cell_length_c     10.83153
_cell_angle_alpha  94.19645
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       274.94237
_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 0.25000 0.69302 0.24166 1.00000
  Tb2 Tb 0.75000 0.30698 0.75834 1.00000
  Er1 Er 0.25000 0.84484 0.88888 1.00000
  Er2 Er 0.75000 0.15516 0.11112 1.00000
  Er3 Er 0.25000 0.24834 0.50604 1.00000
  Er4 Er 0.75000 0.75166 0.49396 1.00000
  Ag1 Ag 0.25000 0.76785 0.63337 1.00000
  Ag2 Ag 0.75000 0.23215 0.36663 1.00000
  Ag3 Ag 0.25000 0.35543 0.99195 1.00000
  Ag4 Ag 0.75000 0.64457 0.00805 1.00000
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