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TmZn7Co5

Alexandria ALEX

Alex-ID: agm003679904 · Space group: Imm2 (#44)

Basic Information

Formula
TmZn7Co5
Alex-ID
agm003679904
Elements
3
Sites
13
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
180.35
ų
Cell a
4.9485
Å
Cell b
6.5163
Å
Cell c
6.5163
Å
α angle
81.61
°
β angle
67.89
°
γ angle
67.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TmZn7Co5
Tm
1.00 · 7.7%
Zn
7.00 · 53.8%
Co
5.00 · 38.5%

Energy & Stability

Energy above hull
0.0043
eV/atom
Formation energy
-0.1415
eV/atom
Corrected total energy
-50.8777
eV
Raw total energy
-50.8777
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0199
eV
DOS at Fermi level
9.4624
Total magnetisation
5.1990
μB

Additional Information

Prototype ID

AB5C7_7_spg44

Decomposition

Tm(Zn2Co)4 TmZn3 Co

Computed at

2022-04-11 09:01:25.923040

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: agm003679904).

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 agm003679904
data_agm003679904
_cell_length_a     4.94851
_cell_length_b     6.51634
_cell_length_c     6.51634
_cell_angle_alpha  81.60674
_cell_angle_beta   67.88562
_cell_angle_gamma  67.88562
_cell_volume       180.34585
_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
  Tm1 Tm 0.01896 0.98132 0.98132 1.00000
  Zn1 Zn 0.67439 0.32700 0.32700 1.00000
  Zn2 Zn 0.34796 0.65061 0.65061 1.00000
  Zn3 Zn 0.99124 0.35252 0.66417 1.00000
  Zn4 Zn 0.99124 0.66417 0.35252 1.00000
  Zn5 Zn 0.27311 0.22722 0.22722 1.00000
  Zn6 Zn 0.49850 0.78930 0.21423 1.00000
  Zn7 Zn 0.49850 0.21423 0.78930 1.00000
  Co1 Co 0.49030 0.99930 0.51187 1.00000
  Co2 Co 0.99866 0.99943 0.51162 1.00000
  Co3 Co 0.49030 0.51187 0.99930 1.00000
  Co4 Co 0.99866 0.51162 0.99943 1.00000
  Co5 Co 0.72816 0.77141 0.77141 1.00000
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