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Er4CdCo2

Alexandria ALEX

Alex-ID: agm096568445 · Space group: Pm (#6)

Alexandria Database API

Basic Information

Formula
Er4CdCo2
Alex-ID
agm096568445
Elements
3
Sites
7
Space group
Pm (#6)
Crystal system
monoclinic
Volume
168.95
ų
Cell a
5.2861
Å
Cell b
3.8335
Å
Cell c
8.4277
Å
α angle
90.00
°
β angle
81.59
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er4CdCo2
Er
4.00 · 57.1%
Cd
1.00 · 14.3%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1849
eV/atom
Formation energy
-0.0765
eV/atom
Corrected total energy
-33.9583
eV
Raw total energy
-33.9583
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0080
eV
DOS at Fermi level
5.6245
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_141_spg65

Decomposition

Er9Cd5Co4 Er4CdCo ErCo

Computed at

2025-04-10 16:35:53

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: agm096568445).

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 agm096568445
data_agm096568445
_cell_length_a     5.28613
_cell_length_b     3.83347
_cell_length_c     8.42768
_cell_angle_alpha  90.00000
_cell_angle_beta   81.59436
_cell_angle_gamma  90.00000
_cell_volume       168.94569
_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 0.20084 0.50000 0.77365 1.00000
  Er2 Er 0.30254 0.00000 0.40566 1.00000
  Er3 Er 0.74847 0.00000 0.66996 1.00000
  Er4 Er 0.88507 0.50000 0.17452 1.00000
  Cd1 Cd 0.44020 0.00000 0.02984 1.00000
  Co1 Co 0.95858 0.00000 0.95490 1.00000
  Co2 Co 0.96430 0.50000 0.49146 1.00000
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