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Ho2V3Ge4

Alexandria ALEX

Alex-ID: agm005676733 · Space group: P2_1/c (#14)

Basic Information

Formula
Ho2V3Ge4
Alex-ID
agm005676733
Elements
3
Sites
18
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
309.60
ų
Cell a
6.8350
Å
Cell b
6.9355
Å
Cell c
6.9325
Å
α angle
90.00
°
β angle
90.00
°
γ angle
109.59
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2V3Ge4
Ho
4.00 · 22.2%
V
6.00 · 33.3%
Ge
8.00 · 44.4%

Energy & Stability

Energy above hull
0.0016
eV/atom
Formation energy
-0.5875
eV/atom
Corrected total energy
-120.5388
eV
Raw total energy
-120.5388
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.8266
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A2B3C4_99_spg14

Decomposition

Ho(VGe)6 V5Ge3 HoGe

Computed at

2023-06-29 05:53:52.558103

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: agm005676733).

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 agm005676733
data_agm005676733
_cell_length_a     6.83497
_cell_length_b     6.93546
_cell_length_c     6.93250
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  109.59367
_cell_volume       309.59619
_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 0.55611 0.18682 0.32968 1.00000
  Ho2 Ho 0.94389 0.81318 0.82968 1.00000
  Ho3 Ho 0.44389 0.81318 0.67032 1.00000
  Ho4 Ho 0.05611 0.18682 0.17032 1.00000
  V1 V 0.00000 0.50000 0.50000 1.00000
  V2 V 0.50000 0.50000 0.00000 1.00000
  V3 V 0.74742 0.25728 0.83223 1.00000
  V4 V 0.75258 0.74272 0.33223 1.00000
  V5 V 0.25258 0.74272 0.16777 1.00000
  V6 V 0.24742 0.25728 0.66777 1.00000
  Ge1 Ge 0.86252 0.09255 0.54624 1.00000
  Ge2 Ge 0.63748 0.90745 0.04624 1.00000
  Ge3 Ge 0.13748 0.90745 0.45376 1.00000
  Ge4 Ge 0.36252 0.09255 0.95376 1.00000
  Ge5 Ge 0.86442 0.49945 0.13458 1.00000
  Ge6 Ge 0.63558 0.50055 0.63458 1.00000
  Ge7 Ge 0.13558 0.50055 0.86542 1.00000
  Ge8 Ge 0.36442 0.49945 0.36542 1.00000
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