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EuGd9Tc2

Alexandria ALEX

Alex-ID: agm101166158 · Space group: P6/mmm (#191)

Alexandria Database API

Basic Information

Formula
EuGd9Tc2
Alex-ID
agm101166158
Elements
3
Sites
12
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
370.33
ų
Cell a
10.5670
Å
Cell b
10.5670
Å
Cell c
3.8296
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuGd9Tc2
Eu
1.00 · 8.3%
Gd
9.00 · 75.0%
Tc
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0841
eV/atom
Formation energy
0.0551
eV/atom
Corrected total energy
-157.0738
eV
Raw total energy
-157.0738
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.0243
Total magnetisation
73.5296
μB

Additional Information

Prototype ID

AB2C9_251_spg65

Decomposition

GdTc2 Eu Gd

Computed at

2025-05-21 13:26:58

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: agm101166158).

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 agm101166158
data_agm101166158
_cell_length_a     10.56700
_cell_length_b     10.56700
_cell_length_c     3.82963
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       370.33180
_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
  Eu1 Eu 0.00000 0.00000 0.00000 1.00000
  Gd1 Gd 0.20668 0.79332 0.50000 1.00000
  Gd2 Gd 0.00000 0.50000 0.00000 1.00000
  Gd3 Gd 0.50000 0.50000 0.00000 1.00000
  Gd4 Gd 0.20668 0.41336 0.50000 1.00000
  Gd5 Gd 0.79332 0.20668 0.50000 1.00000
  Gd6 Gd 0.41336 0.20668 0.50000 1.00000
  Gd7 Gd 0.79332 0.58664 0.50000 1.00000
  Gd8 Gd 0.50000 0.00000 0.00000 1.00000
  Gd9 Gd 0.58664 0.79332 0.50000 1.00000
  Tc1 Tc 0.33333 0.66667 0.00000 1.00000
  Tc2 Tc 0.66667 0.33333 0.00000 1.00000
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