Er11(Co2Ge3)2

Alexandria ALEX

Alex-ID: agm008577882 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula

Er11(Co2Ge3)2

Alex-ID

agm008577882

Elements

Sites

Space group

C2/m (#12)

Crystal system

monoclinic

Volume

459.46

Å³

Cell a

8.9870

Cell b

8.9870

Cell c

13.3383

α angle

74.27

β angle

105.73

γ angle

153.64

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Er11(Co2Ge3)2

11.00 · 52.4%

4.00 · 19.0%

6.00 · 28.6%

Energy & Stability

Energy above hull

0.0035

eV/atom

Formation energy

-0.6612

eV/atom

Corrected total energy

-120.2756

Raw total energy

-120.2756

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0007

DOS at Fermi level

15.2944

Total magnetisation

1.9972

μB

Additional Information

Prototype ID

A4B6C11_1_spg12

Decomposition

Er3CoGe2 ErCo2 Er5Ge3

Computed at

2024-12-26 12:04:14

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: agm008577882).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008577882
data_agm008577882
_cell_length_a     8.98698
_cell_length_b     8.98698
_cell_length_c     13.33828
_cell_angle_alpha  74.26964
_cell_angle_beta   105.73036
_cell_angle_gamma  153.63643
_cell_volume       459.46188
_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 0.09311 0.90689 0.28627 1.00000
  Er2 Er 0.13974 0.86026 0.85087 1.00000
  Er3 Er 0.78555 0.21445 0.39982 1.00000
  Er4 Er 0.45013 0.54987 0.37380 1.00000
  Er5 Er 0.65774 0.34226 0.09380 1.00000
  Er6 Er 0.54987 0.45013 0.62620 1.00000
  Er7 Er 0.00000 0.00000 0.00000 1.00000
  Er8 Er 0.86026 0.13974 0.14913 1.00000
  Er9 Er 0.21445 0.78555 0.60018 1.00000
  Er10 Er 0.34226 0.65774 0.90620 1.00000
  Er11 Er 0.90689 0.09311 0.71373 1.00000
  Co1 Co 0.24725 0.75275 0.04505 1.00000
  Co2 Co 0.05600 0.94400 0.47660 1.00000
  Co3 Co 0.94400 0.05600 0.52340 1.00000
  Co4 Co 0.75275 0.24725 0.95495 1.00000
  Ge1 Ge 0.36775 0.63225 0.54954 1.00000
  Ge2 Ge 0.73689 0.26311 0.76495 1.00000
  Ge3 Ge 0.26311 0.73689 0.23505 1.00000
  Ge4 Ge 0.63225 0.36775 0.45046 1.00000
  Ge5 Ge 0.48861 0.51139 0.15062 1.00000
  Ge6 Ge 0.51139 0.48861 0.84938 1.00000

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