Ho11(Cu2Ge3)2

Alexandria ALEX

Alex-ID: agm008577692 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula

Ho11(Cu2Ge3)2

Alex-ID

agm008577692

Elements

Sites

Space group

C2/m (#12)

Crystal system

monoclinic

Volume

476.65

Å³

Cell a

8.9720

Cell b

8.9720

Cell c

13.4258

α angle

75.03

β angle

75.03

γ angle

27.23

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Ho11(Cu2Ge3)2

11.00 · 52.4%

4.00 · 19.0%

6.00 · 28.6%

Energy & Stability

Energy above hull

0.0111

eV/atom

Formation energy

-0.6499

eV/atom

Corrected total energy

-108.3559

Raw total energy

-108.3559

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

11.1398

Total magnetisation

0.0003

μB

Additional Information

Prototype ID

A4B6C11_1_spg12

Decomposition

Ho4Ge3 Ho5Ge3 HoCu2

Computed at

2024-03-04 12:52:06.629486

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: agm008577692).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008577692
data_agm008577692
_cell_length_a     8.97200
_cell_length_b     8.97200
_cell_length_c     13.42581
_cell_angle_alpha  75.03129
_cell_angle_beta   75.03129
_cell_angle_gamma  27.22549
_cell_volume       476.64929
_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 0.90428 0.90428 0.77816 1.00000
  Ho2 Ho 0.86470 0.86470 0.34483 1.00000
  Ho3 Ho 0.21665 0.21665 0.89737 1.00000
  Ho4 Ho 0.55099 0.55099 0.87027 1.00000
  Ho5 Ho 0.34049 0.34049 0.60065 1.00000
  Ho6 Ho 0.44901 0.44901 0.12973 1.00000
  Ho7 Ho 0.00000 0.00000 0.50000 1.00000
  Ho8 Ho 0.13530 0.13530 0.65517 1.00000
  Ho9 Ho 0.78335 0.78335 0.10263 1.00000
  Ho10 Ho 0.65951 0.65951 0.39935 1.00000
  Ho11 Ho 0.09572 0.09572 0.22184 1.00000
  Cu1 Cu 0.75394 0.75394 0.54624 1.00000
  Cu2 Cu 0.94152 0.94152 0.97070 1.00000
  Cu3 Cu 0.05848 0.05848 0.02930 1.00000
  Cu4 Cu 0.24606 0.24606 0.45376 1.00000
  Ge1 Ge 0.63168 0.63168 0.05229 1.00000
  Ge2 Ge 0.26637 0.26637 0.25972 1.00000
  Ge3 Ge 0.73363 0.73363 0.74028 1.00000
  Ge4 Ge 0.36832 0.36832 0.94771 1.00000
  Ge5 Ge 0.51189 0.51189 0.65075 1.00000
  Ge6 Ge 0.48811 0.48811 0.34925 1.00000

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