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Ho2Tm5CuNi2

Alexandria ALEX

Alex-ID: agm033159033 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
Ho2Tm5CuNi2
Alex-ID
agm033159033
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
476.10
ų
Cell a
11.6311
Å
Cell b
11.6311
Å
Cell c
3.5193
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Tm5CuNi2
Ho
4.00 · 20.0%
Tm
10.00 · 50.0%
Cu
2.00 · 10.0%
Ni
4.00 · 20.0%

Energy & Stability

Energy above hull
0.0165
eV/atom
Formation energy
-0.2522
eV/atom
Corrected total energy
-99.5290
eV
Raw total energy
-99.5290
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
25.5124
Total magnetisation
-0.0018
μB

Additional Information

Prototype ID

AB2C2D5_81_spg14

Decomposition

HoTm5Cu6 HoTm2Ni Tm3Ni

Computed at

2025-03-12 02:11:01

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: agm033159033).

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 agm033159033
data_agm033159033
_cell_length_a     11.63108
_cell_length_b     11.63108
_cell_length_c     3.51935
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       476.10411
_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
  Ho1 Ho 0.68397 0.18397 0.00000 1.00000
  Ho2 Ho 0.31603 0.81603 0.00000 1.00000
  Ho3 Ho 0.81603 0.68397 0.00000 1.00000
  Ho4 Ho 0.18397 0.31603 0.00000 1.00000
  Tm1 Tm 0.55745 0.70121 0.50000 1.00000
  Tm2 Tm 0.44255 0.29879 0.50000 1.00000
  Tm3 Tm 0.29879 0.55745 0.50000 1.00000
  Tm4 Tm 0.94255 0.20121 0.50000 1.00000
  Tm5 Tm 0.70121 0.44255 0.50000 1.00000
  Tm6 Tm 0.05745 0.79879 0.50000 1.00000
  Tm7 Tm 0.20121 0.05745 0.50000 1.00000
  Tm8 Tm 0.79879 0.94255 0.50000 1.00000
  Tm9 Tm 0.50000 0.00000 0.50000 1.00000
  Tm10 Tm 0.00000 0.50000 0.50000 1.00000
  Cu1 Cu 0.50000 0.50000 0.00000 1.00000
  Cu2 Cu 0.00000 0.00000 0.00000 1.00000
  Ni1 Ni 0.13366 0.63366 0.00000 1.00000
  Ni2 Ni 0.86634 0.36634 0.00000 1.00000
  Ni3 Ni 0.36634 0.13366 0.00000 1.00000
  Ni4 Ni 0.63366 0.86634 0.00000 1.00000
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