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Tb(ErC)2

Alexandria ALEX

Alex-ID: agm014228993 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Tb(ErC)2
Alex-ID
agm014228993
Elements
3
Sites
5
Space group
R-3m (#166)
Crystal system
trigonal
Volume
105.13
ų
Cell a
9.5419
Å
Cell b
9.5419
Å
Cell c
9.5419
Å
α angle
21.81
°
β angle
21.81
°
γ angle
21.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(ErC)2
Tb
1.00 · 20.0%
Er
2.00 · 40.0%
C
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0342
eV/atom
Formation energy
-0.2788
eV/atom
Corrected total energy
-33.5996
eV
Raw total energy
-33.5996
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.0266
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_367_spg166

Decomposition

Tb2ErC2 Tb4C5 Er2C

Computed at

2025-04-16 19:56:10

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: agm014228993).

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 agm014228993
data_agm014228993
_cell_length_a     9.54194
_cell_length_b     9.54194
_cell_length_c     9.54194
_cell_angle_alpha  21.81232
_cell_angle_beta   21.81232
_cell_angle_gamma  21.81232
_cell_volume       105.13038
_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 0.00000 0.00000 0.00000 1.00000
  Er1 Er 0.76458 0.76458 0.76458 1.00000
  Er2 Er 0.23542 0.23542 0.23542 1.00000
  C1 C 0.39141 0.39141 0.39141 1.00000
  C2 C 0.60859 0.60859 0.60859 1.00000
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