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Gd2Re2Ge2C

Alexandria ALEX

Alex-ID: agm075883145 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Gd2Re2Ge2C
Alex-ID
agm075883145
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
127.34
ų
Cell a
5.8376
Å
Cell b
5.8376
Å
Cell c
7.0651
Å
α angle
57.13
°
β angle
122.87
°
γ angle
139.58
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Gd2Re2Ge2C
Gd
2.00 · 28.6%
Re
2.00 · 28.6%
Ge
2.00 · 28.6%
C
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5057
eV/atom
Corrected total energy
-75.0563
eV
Raw total energy
-75.0563
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0245
eV
DOS at Fermi level
3.3328
Total magnetisation
13.9616
μB

Additional Information

Prototype ID

AB2C2D2_46_spg12

Decomposition

Gd2Re2Ge2C

Computed at

2025-01-09 01:24:17

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: agm075883145).

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 agm075883145
data_agm075883145
_cell_length_a     5.83760
_cell_length_b     5.83760
_cell_length_c     7.06506
_cell_angle_alpha  57.13278
_cell_angle_beta   122.86722
_cell_angle_gamma  139.58403
_cell_volume       127.34496
_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
  Gd1 Gd 0.56876 0.43124 0.29157 1.00000
  Gd2 Gd 0.43124 0.56876 0.70843 1.00000
  Re1 Re 0.79674 0.20326 0.92057 1.00000
  Re2 Re 0.20326 0.79674 0.07943 1.00000
  Ge1 Ge 0.85410 0.14590 0.32684 1.00000
  Ge2 Ge 0.14590 0.85410 0.67316 1.00000
  C1 C 0.00000 0.00000 0.00000 1.00000
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