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Er4ZnCo2

Alexandria ALEX

Alex-ID: agm096166473 · Space group: P2/m (#10)

Basic Information

Formula
Er4ZnCo2
Alex-ID
agm096166473
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
162.99
ų
Cell a
4.1154
Å
Cell b
5.1729
Å
Cell c
7.6639
Å
α angle
92.59
°
β angle
90.02
°
γ angle
89.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er4ZnCo2
Er
4.00 · 57.1%
Zn
1.00 · 14.3%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1815
eV/atom
Formation energy
-0.0851
eV/atom
Corrected total energy
-34.3727
eV
Raw total energy
-34.3727
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0109
eV
DOS at Fermi level
4.4167
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_179_spg10

Decomposition

Er4ZnCo Er2ZnCo2 Er5Co2

Computed at

2025-04-10 16:44:28

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: agm096166473).

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 agm096166473
data_agm096166473
_cell_length_a     4.11544
_cell_length_b     5.17291
_cell_length_c     7.66394
_cell_angle_alpha  92.59435
_cell_angle_beta   90.02137
_cell_angle_gamma  89.97939
_cell_volume       162.98878
_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 0.49987 0.79600 0.81098 1.00000
  Er2 Er 0.00032 0.75135 0.35174 1.00000
  Er3 Er 0.99968 0.24865 0.64826 1.00000
  Er4 Er 0.50013 0.20400 0.18902 1.00000
  Zn1 Zn 0.00000 0.50000 0.00000 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Co2 Co 0.50000 0.00000 0.50000 1.00000
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