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Tm5Co(CuNi)2

Alexandria ALEX

Alex-ID: agm033838027 · Space group: Cm (#8)

Alexandria Database API

Basic Information

Formula
Tm5Co(CuNi)2
Alex-ID
agm033838027
Elements
4
Sites
20
Space group
Cm (#8)
Crystal system
monoclinic
Volume
393.37
ų
Cell a
10.0407
Å
Cell b
10.0407
Å
Cell c
10.9549
Å
α angle
82.03
°
β angle
97.97
°
γ angle
158.91
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm5Co(CuNi)2
Tm
10.00 · 50.0%
Co
2.00 · 10.0%
Cu
4.00 · 20.0%
Ni
4.00 · 20.0%

Energy & Stability

Energy above hull
0.0027
eV/atom
Formation energy
-0.3611
eV/atom
Corrected total energy
-105.9608
eV
Raw total energy
-105.9607
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0218
eV
DOS at Fermi level
14.6874
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_96_spg8

Decomposition

Tm2CuNi TmCo

Computed at

2025-02-25 06:50:21

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: agm033838027).

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 agm033838027
data_agm033838027
_cell_length_a     10.04072
_cell_length_b     10.04072
_cell_length_c     10.95494
_cell_angle_alpha  82.03458
_cell_angle_beta   97.96542
_cell_angle_gamma  158.91419
_cell_volume       393.37056
_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 0.19313 0.80687 0.29924 1.00000
  Tm2 Tm 0.79127 0.20873 0.90750 1.00000
  Tm3 Tm 0.34131 0.65869 0.17422 1.00000
  Tm4 Tm 0.59131 0.40869 0.70212 1.00000
  Tm5 Tm 0.15421 0.84579 0.98521 1.00000
  Tm6 Tm 0.39542 0.60458 0.50481 1.00000
  Tm7 Tm 0.95010 0.04990 0.77784 1.00000
  Tm8 Tm 0.54744 0.45256 0.37976 1.00000
  Tm9 Tm 0.74956 0.25044 0.57854 1.00000
  Tm10 Tm 0.99092 0.00908 0.10309 1.00000
  Co1 Co 0.73426 0.26574 0.13305 1.00000
  Co2 Co 0.00599 0.99401 0.55019 1.00000
  Cu1 Cu 0.93315 0.06685 0.33185 1.00000
  Cu2 Cu 0.53658 0.46342 0.93598 1.00000
  Cu3 Cu 0.33519 0.66481 0.73561 1.00000
  Cu4 Cu 0.13455 0.86545 0.53302 1.00000
  Ni1 Ni 0.20682 0.79318 0.74696 1.00000
  Ni2 Ni 0.80536 0.19464 0.35140 1.00000
  Ni3 Ni 0.60527 0.39473 0.15073 1.00000
  Ni4 Ni 0.40666 0.59334 0.94886 1.00000
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