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Er2Cd2Co

Alexandria ALEX

Alex-ID: agm014306729 · Space group: I4/mmm (#139)

Basic Information

Formula
Er2Cd2Co
Alex-ID
agm014306729
Elements
3
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
109.55
ų
Cell a
10.1494
Å
Cell b
10.1494
Å
Cell c
10.1494
Å
α angle
161.11
°
β angle
161.11
°
γ angle
26.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er2Cd2Co
Er
2.00 · 40.0%
Cd
2.00 · 40.0%
Co
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0507
eV/atom
Formation energy
-0.2443
eV/atom
Corrected total energy
-19.3180
eV
Raw total energy
-19.3180
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0052
eV
DOS at Fermi level
2.5170
Total magnetisation
0.7001
μB

Additional Information

Prototype ID

AB2C2_4_spg65

Decomposition

ErCdCo ErCd

Computed at

2025-04-16 14:12:09

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: agm014306729).

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 agm014306729
data_agm014306729
_cell_length_a     10.14943
_cell_length_b     10.14943
_cell_length_c     10.14943
_cell_angle_alpha  161.10908
_cell_angle_beta   161.10908
_cell_angle_gamma  26.83967
_cell_volume       109.55322
_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 0.41774 0.41774 0.00000 1.00000
  Er2 Er 0.58226 0.58226 0.00000 1.00000
  Cd1 Cd 0.19970 0.19970 0.00000 1.00000
  Cd2 Cd 0.80030 0.80030 0.00000 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
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