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Er6CoAg2

Alexandria ALEX

Alex-ID: agm003494519 · Space group: P2_1/c (#14)

Basic Information

Formula
Er6CoAg2
Alex-ID
agm003494519
Elements
3
Sites
18
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
475.23
ų
Cell a
6.6031
Å
Cell b
7.2989
Å
Cell c
9.8729
Å
α angle
90.00
°
β angle
87.15
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er6CoAg2
Er
12.00 · 66.7%
Co
2.00 · 11.1%
Ag
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0842
eV/atom
Formation energy
-0.1563
eV/atom
Corrected total energy
-83.2197
eV
Raw total energy
-83.2197
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.2939
Total magnetisation
-0.0004
μB

Additional Information

Prototype ID

AB2C6_186_spg128

Decomposition

Er4CoAg Er ErAg

Computed at

2022-02-24 04:47:42.612022

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: agm003494519).

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 agm003494519
data_agm003494519
_cell_length_a     6.60306
_cell_length_b     7.29888
_cell_length_c     9.87289
_cell_angle_alpha  90.00000
_cell_angle_beta   87.14556
_cell_angle_gamma  90.00000
_cell_volume       475.23311
_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 0.88046 0.98447 0.25111 1.00000
  Er2 Er 0.82056 0.68964 0.54953 1.00000
  Er3 Er 0.83412 0.68445 0.94632 1.00000
  Er4 Er 0.66588 0.18445 0.55368 1.00000
  Er5 Er 0.67944 0.18964 0.95047 1.00000
  Er6 Er 0.61954 0.48447 0.24889 1.00000
  Er7 Er 0.11954 0.01553 0.74889 1.00000
  Er8 Er 0.17944 0.31036 0.45047 1.00000
  Er9 Er 0.16588 0.31555 0.05368 1.00000
  Er10 Er 0.33412 0.81555 0.44632 1.00000
  Er11 Er 0.32056 0.81036 0.04953 1.00000
  Er12 Er 0.38046 0.51553 0.75111 1.00000
  Co1 Co 0.50000 0.50000 0.00000 1.00000
  Co2 Co 0.00000 0.00000 0.50000 1.00000
  Ag1 Ag 0.94631 0.39529 0.74542 1.00000
  Ag2 Ag 0.55369 0.89529 0.75458 1.00000
  Ag3 Ag 0.44631 0.10471 0.24542 1.00000
  Ag4 Ag 0.05369 0.60471 0.25458 1.00000
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