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Tb2Er5ZnCo2

Alexandria ALEX

Alex-ID: agm026808939 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
Tb2Er5ZnCo2
Alex-ID
agm026808939
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
489.77
ų
Cell a
11.6737
Å
Cell b
11.6737
Å
Cell c
3.5939
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Er5ZnCo2
Tb
4.00 · 20.0%
Er
10.00 · 50.0%
Zn
2.00 · 10.0%
Co
4.00 · 20.0%

Energy & Stability

Energy above hull
0.0242
eV/atom
Formation energy
-0.1891
eV/atom
Corrected total energy
-98.9917
eV
Raw total energy
-98.9917
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.5512
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_47_spg127

Decomposition

Er3Co Tb4ZnCo Er4ZnCo

Computed at

2025-02-23 05:22:39

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: agm026808939).

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 agm026808939
data_agm026808939
_cell_length_a     11.67375
_cell_length_b     11.67375
_cell_length_c     3.59395
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       489.76966
_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
  Tb1 Tb 0.81311 0.31311 0.00000 1.00000
  Tb2 Tb 0.18689 0.68689 0.00000 1.00000
  Tb3 Tb 0.31311 0.18689 0.00000 1.00000
  Tb4 Tb 0.68689 0.81311 0.00000 1.00000
  Er1 Er 0.28944 0.44200 0.50000 1.00000
  Er2 Er 0.71056 0.55800 0.50000 1.00000
  Er3 Er 0.44200 0.71056 0.50000 1.00000
  Er4 Er 0.78944 0.05801 0.50000 1.00000
  Er5 Er 0.55800 0.28944 0.50000 1.00000
  Er6 Er 0.21056 0.94200 0.50000 1.00000
  Er7 Er 0.94200 0.78944 0.50000 1.00000
  Er8 Er 0.05801 0.21056 0.50000 1.00000
  Er9 Er 0.00000 0.50000 0.50000 1.00000
  Er10 Er 0.50000 0.00000 0.50000 1.00000
  Zn1 Zn 0.50000 0.50000 0.00000 1.00000
  Zn2 Zn 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.36799 0.86799 0.00000 1.00000
  Co2 Co 0.63201 0.13201 0.00000 1.00000
  Co3 Co 0.86799 0.63201 0.00000 1.00000
  Co4 Co 0.13201 0.36799 0.00000 1.00000
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