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Er2CoAg2

Alexandria ALEX

Alex-ID: agm046434693 · Space group: P2_1/m (#11)

Basic Information

Formula
Er2CoAg2
Alex-ID
agm046434693
Elements
3
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
211.67
ų
Cell a
7.4607
Å
Cell b
3.9708
Å
Cell c
7.8306
Å
α angle
90.00
°
β angle
114.15
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er2CoAg2
Er
4.00 · 40.0%
Co
2.00 · 20.0%
Ag
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0280
eV/atom
Formation energy
-0.2710
eV/atom
Corrected total energy
-46.6138
eV
Raw total energy
-46.6138
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0203
eV
DOS at Fermi level
7.2455
Total magnetisation
0.0011
μB

Additional Information

Prototype ID

AB2C2_94_spg4

Decomposition

ErCo2 ErAg2 ErAg

Computed at

2025-03-02 08:58:52

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: agm046434693).

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 agm046434693
data_agm046434693
_cell_length_a     7.46072
_cell_length_b     3.97079
_cell_length_c     7.83057
_cell_angle_alpha  90.00000
_cell_angle_beta   114.15418
_cell_angle_gamma  90.00000
_cell_volume       211.66982
_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 0.64922 0.25000 0.38439 1.00000
  Er2 Er 0.02341 0.25000 0.21199 1.00000
  Er3 Er 0.35078 0.75000 0.61561 1.00000
  Er4 Er 0.97659 0.75000 0.78801 1.00000
  Co1 Co 0.93823 0.75000 0.42935 1.00000
  Co2 Co 0.06177 0.25000 0.57065 1.00000
  Ag1 Ag 0.66321 0.75000 0.07211 1.00000
  Ag2 Ag 0.33679 0.25000 0.92789 1.00000
  Ag3 Ag 0.32163 0.75000 0.19081 1.00000
  Ag4 Ag 0.67837 0.25000 0.80919 1.00000
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