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Er6Co2Ag3Os

Alexandria ALEX

Alex-ID: agm034264749 · Space group: Cmmm (#65)

Basic Information

Formula
Er6Co2Ag3Os
Alex-ID
agm034264749
Elements
4
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
252.89
ų
Cell a
7.5749
Å
Cell b
7.5749
Å
Cell c
7.3229
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er6Co2Ag3Os
Er
6.00 · 50.0%
Co
2.00 · 16.7%
Ag
3.00 · 25.0%
Os
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0048
eV/atom
Formation energy
-0.3058
eV/atom
Corrected total energy
-65.0783
eV
Raw total energy
-65.0782
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0075
eV
DOS at Fermi level
6.3676
Total magnetisation
1.3980
μB

Additional Information

Prototype ID

AB2C3D6_606_spg12

Decomposition

Er4Ag3Os ErCo

Computed at

2025-01-17 20:47:29

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: agm034264749).

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 agm034264749
data_agm034264749
_cell_length_a     7.57487
_cell_length_b     7.57487
_cell_length_c     7.32291
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  142.99691
_cell_volume       252.88798
_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 0.16692 0.83308 0.77815 1.00000
  Er2 Er 0.83308 0.16692 0.77815 1.00000
  Er3 Er 0.83308 0.16692 0.22185 1.00000
  Er4 Er 0.50000 0.50000 0.77691 1.00000
  Er5 Er 0.50000 0.50000 0.22309 1.00000
  Er6 Er 0.16692 0.83308 0.22185 1.00000
  Co1 Co 0.66697 0.33303 0.00000 1.00000
  Co2 Co 0.33303 0.66697 0.00000 1.00000
  Ag1 Ag 0.00000 0.00000 0.50000 1.00000
  Ag2 Ag 0.66691 0.33309 0.50000 1.00000
  Ag3 Ag 0.33309 0.66691 0.50000 1.00000
  Os1 Os 0.00000 0.00000 0.00000 1.00000
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