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Ho2Ga2Cu3

Alexandria ALEX

Alex-ID: agm009191192 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Ga2Cu3
Alex-ID
agm009191192
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
124.58
ų
Cell a
5.3798
Å
Cell b
5.3798
Å
Cell c
6.4237
Å
α angle
69.11
°
β angle
69.11
°
γ angle
46.64
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Ga2Cu3
Ho
2.00 · 28.6%
Ga
2.00 · 28.6%
Cu
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0693
eV/atom
Formation energy
-0.3643
eV/atom
Corrected total energy
-30.2455
eV
Raw total energy
-30.2455
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.1896
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_1637_spg2

Decomposition

HoGaCu Cu

Computed at

2024-05-09 14:02:17.712174

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: agm009191192).

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 agm009191192
data_agm009191192
_cell_length_a     5.37983
_cell_length_b     5.37983
_cell_length_c     6.42375
_cell_angle_alpha  69.11487
_cell_angle_beta   69.11487
_cell_angle_gamma  46.64484
_cell_volume       124.58159
_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 0.65063 0.65063 0.22379 1.00000
  Ho2 Ho 0.34937 0.34937 0.77621 1.00000
  Ga1 Ga 0.89497 0.89497 0.42274 1.00000
  Ga2 Ga 0.10503 0.10503 0.57726 1.00000
  Cu1 Cu 0.00000 0.00000 0.00000 1.00000
  Cu2 Cu 0.64466 0.64466 0.76614 1.00000
  Cu3 Cu 0.35534 0.35534 0.23386 1.00000
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