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Er4CdCo2

Alexandria ALEX

Alex-ID: agm003458468 · Space group: P1 (#1)

Basic Information

Formula
Er4CdCo2
Alex-ID
agm003458468
Elements
3
Sites
14
Space group
P1 (#1)
Crystal system
triclinic
Volume
330.42
ų
Cell a
8.7428
Å
Cell b
8.9297
Å
Cell c
6.8593
Å
α angle
126.26
°
β angle
105.14
°
γ angle
108.67
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er4CdCo2
Er
8.00 · 57.1%
Cd
2.00 · 14.3%
Co
4.00 · 28.6%

Energy & Stability

Energy above hull
0.1278
eV/atom
Formation energy
-0.1336
eV/atom
Corrected total energy
-68.7158
eV
Raw total energy
-68.7158
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0228
eV
DOS at Fermi level
12.1594
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C4_1136_spg1

Decomposition

Er9Cd5Co4 Er4CdCo ErCo

Computed at

2022-02-28 17:51:32.428825

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: agm003458468).

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 agm003458468
data_agm003458468
_cell_length_a     8.74276
_cell_length_b     8.92966
_cell_length_c     6.85933
_cell_angle_alpha  126.25711
_cell_angle_beta   105.13798
_cell_angle_gamma  108.66822
_cell_volume       330.41758
_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 0.88436 0.13779 0.25444 1.00000
  Er2 Er 0.41044 0.79855 0.43045 1.00000
  Er3 Er 0.90188 0.61077 0.83762 1.00000
  Er4 Er 0.90984 0.24722 0.83390 1.00000
  Er5 Er 0.45318 0.03958 0.16578 1.00000
  Er6 Er 0.24174 0.14754 0.66458 1.00000
  Er7 Er 0.44527 0.52884 0.67197 1.00000
  Er8 Er 0.73052 0.64117 0.29375 1.00000
  Cd1 Cd 0.08124 0.62311 0.50594 1.00000
  Cd2 Cd 0.10742 0.05633 0.98237 1.00000
  Co1 Co 0.58587 0.27474 0.72481 1.00000
  Co2 Co 0.62849 0.86865 0.24685 1.00000
  Co3 Co 0.67147 0.24149 0.04114 1.00000
  Co4 Co 0.19829 0.53421 0.84639 1.00000
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