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Gd7Er2Co3

Alexandria ALEX

Alex-ID: agm101239176 · Space group: P1 (#1)

Basic Information

Formula
Gd7Er2Co3
Alex-ID
agm101239176
Elements
3
Sites
12
Space group
P1 (#1)
Crystal system
triclinic
Volume
316.14
ų
Cell a
6.2677
Å
Cell b
5.7957
Å
Cell c
10.1563
Å
α angle
76.98
°
β angle
74.60
°
γ angle
63.61
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Gd7Er2Co3
Gd
7.00 · 58.3%
Er
2.00 · 16.7%
Co
3.00 · 25.0%

Energy & Stability

Energy above hull
0.0814
eV/atom
Formation energy
-0.0650
eV/atom
Corrected total energy
-129.8433
eV
Raw total energy
-129.8433
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0025
eV
DOS at Fermi level
12.6655
Total magnetisation
50.6779
μB

Additional Information

Prototype ID

A2B3C7_655_spg1

Decomposition

Gd3Co Er5Co2 Gd

Computed at

2025-05-16 01:00:48

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: agm101239176).

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 agm101239176
data_agm101239176
_cell_length_a     6.26766
_cell_length_b     5.79567
_cell_length_c     10.15626
_cell_angle_alpha  76.98392
_cell_angle_beta   74.60286
_cell_angle_gamma  63.60531
_cell_volume       316.14471
_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 0.69575 0.37309 0.54685 1.00000
  Gd2 Gd 0.58999 0.23584 0.24594 1.00000
  Gd3 Gd 0.97713 0.59992 0.21717 1.00000
  Gd4 Gd 0.22864 0.90567 0.35175 1.00000
  Gd5 Gd 0.88997 0.12398 0.90849 1.00000
  Gd6 Gd 0.35718 0.01769 0.64157 1.00000
  Gd7 Gd 0.95114 0.68703 0.67015 1.00000
  Er1 Er 0.52669 0.77187 0.99782 1.00000
  Er2 Er 0.28516 0.40645 0.91107 1.00000
  Co1 Co 0.07818 0.10328 0.10989 1.00000
  Co2 Co 0.75622 0.86997 0.45267 1.00000
  Co3 Co 0.16397 0.40520 0.44661 1.00000
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