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Ho3(ZnGe2)2

Alexandria ALEX

Alex-ID: agm005669634 · Space group: C2/m (#12)

Basic Information

Formula
Ho3(ZnGe2)2
Alex-ID
agm005669634
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
182.86
ų
Cell a
4.1258
Å
Cell b
5.9606
Å
Cell c
8.5223
Å
α angle
69.92
°
β angle
75.99
°
γ angle
69.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(ZnGe2)2
Ho
3.00 · 33.3%
Zn
2.00 · 22.2%
Ge
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0585
eV/atom
Formation energy
-0.5883
eV/atom
Corrected total energy
-40.0558
eV
Raw total energy
-40.0558
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.4145
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_373_spg12

Decomposition

HoZnGe Ho3Ge5 Ho4Zn5Ge6

Computed at

2023-06-29 07:21:02.913032

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: agm005669634).

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 agm005669634
data_agm005669634
_cell_length_a     4.12578
_cell_length_b     5.96059
_cell_length_c     8.52234
_cell_angle_alpha  69.91801
_cell_angle_beta   75.99202
_cell_angle_gamma  69.75175
_cell_volume       182.86096
_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 0.37692 0.55278 0.69339 1.00000
  Ho2 Ho 0.00000 0.00000 0.00000 1.00000
  Ho3 Ho 0.62308 0.44722 0.30661 1.00000
  Zn1 Zn 0.31556 0.02377 0.34511 1.00000
  Zn2 Zn 0.68444 0.97623 0.65489 1.00000
  Ge1 Ge 0.28895 0.35791 0.06418 1.00000
  Ge2 Ge 0.71105 0.64209 0.93582 1.00000
  Ge3 Ge 0.08209 0.23516 0.60066 1.00000
  Ge4 Ge 0.91791 0.76484 0.39934 1.00000
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