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Tb4Cd3Au10

Alexandria ALEX

Alex-ID: agm008337983 · Space group: Cmce (#64)

Basic Information

Formula
Tb4Cd3Au10
Alex-ID
agm008337983
Elements
3
Sites
34
Space group
Cmce (#64)
Crystal system
orthorhombic
Volume
716.64
ų
Cell a
8.5966
Å
Cell b
8.5966
Å
Cell c
10.1853
Å
α angle
90.00
°
β angle
90.00
°
γ angle
107.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4Cd3Au10
Tb
8.00 · 23.5%
Cd
6.00 · 17.6%
Au
20.00 · 58.8%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6780
eV/atom
Corrected total energy
-131.1999
eV
Raw total energy
-131.1999
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0204
eV
DOS at Fermi level
14.4685
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C10_8_spg64

Decomposition

Tb4Cd3Au10

Computed at

2025-02-04 09:55:35

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: agm008337983).

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 agm008337983
data_agm008337983
_cell_length_a     8.59665
_cell_length_b     8.59665
_cell_length_c     10.18531
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  107.81067
_cell_volume       716.64283
_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 0.80070 0.19930 0.00000 1.00000
  Tb2 Tb 0.19930 0.80070 0.00000 1.00000
  Tb3 Tb 0.69930 0.30070 0.50000 1.00000
  Tb4 Tb 0.30070 0.69930 0.50000 1.00000
  Tb5 Tb 0.80386 0.80386 0.20410 1.00000
  Tb6 Tb 0.19614 0.19614 0.79590 1.00000
  Tb7 Tb 0.69614 0.69614 0.70410 1.00000
  Tb8 Tb 0.30386 0.30386 0.29590 1.00000
  Cd1 Cd 0.02004 0.52004 0.25000 1.00000
  Cd2 Cd 0.97996 0.47996 0.75000 1.00000
  Cd3 Cd 0.47996 0.97996 0.75000 1.00000
  Cd4 Cd 0.52004 0.02004 0.25000 1.00000
  Cd5 Cd 0.50000 0.50000 0.00000 1.00000
  Cd6 Cd 0.00000 0.00000 0.50000 1.00000
  Au1 Au 0.59767 0.59767 0.40449 1.00000
  Au2 Au 0.40233 0.40233 0.59551 1.00000
  Au3 Au 0.90233 0.90233 0.90449 1.00000
  Au4 Au 0.09767 0.09767 0.09551 1.00000
  Au5 Au 0.66338 0.38185 0.21012 1.00000
  Au6 Au 0.33662 0.61815 0.78988 1.00000
  Au7 Au 0.83662 0.11815 0.71012 1.00000
  Au8 Au 0.88185 0.16338 0.28988 1.00000
  Au9 Au 0.16338 0.88185 0.28988 1.00000
  Au10 Au 0.11815 0.83662 0.71012 1.00000
  Au11 Au 0.61815 0.33662 0.78988 1.00000
  Au12 Au 0.38185 0.66338 0.21012 1.00000
  Au13 Au 0.14925 0.42996 0.01109 1.00000
  Au14 Au 0.85075 0.57004 0.98891 1.00000
  Au15 Au 0.35075 0.07004 0.51109 1.00000
  Au16 Au 0.92996 0.64925 0.48891 1.00000
  Au17 Au 0.64925 0.92996 0.48891 1.00000
  Au18 Au 0.07004 0.35075 0.51109 1.00000
  Au19 Au 0.57004 0.85075 0.98891 1.00000
  Au20 Au 0.42996 0.14925 0.01109 1.00000
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