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Er4GaCo2

Alexandria ALEX

Alex-ID: agm096544247 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
Er4GaCo2
Alex-ID
agm096544247
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
160.94
ų
Cell a
4.6911
Å
Cell b
4.0488
Å
Cell c
8.7956
Å
α angle
90.00
°
β angle
105.55
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er4GaCo2
Er
4.00 · 57.1%
Ga
1.00 · 14.3%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.2129
eV/atom
Formation energy
-0.1428
eV/atom
Corrected total energy
-36.5279
eV
Raw total energy
-36.5279
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.2391
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_4558_spg8

Decomposition

Er6GaCo2 Er2GaCo2

Computed at

2025-04-10 16:32:44

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: agm096544247).

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 agm096544247
data_agm096544247
_cell_length_a     4.69108
_cell_length_b     4.04882
_cell_length_c     8.79558
_cell_angle_alpha  90.00000
_cell_angle_beta   105.55092
_cell_angle_gamma  90.00000
_cell_volume       160.94185
_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
  Er1 Er 0.90993 0.50000 0.30203 1.00000
  Er2 Er 0.67867 0.00000 0.86188 1.00000
  Er3 Er 0.32133 0.00000 0.13812 1.00000
  Er4 Er 0.09007 0.50000 0.69797 1.00000
  Ga1 Ga 0.50000 0.00000 0.50000 1.00000
  Co1 Co 0.00000 0.00000 0.50000 1.00000
  Co2 Co 0.00000 0.50000 0.00000 1.00000
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