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Ho2Ga2Ru2C

Alexandria ALEX

Alex-ID: agm004544896 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Ho2Ga2Ru2C
Alex-ID
agm004544896
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
124.39
ų
Cell a
4.0466
Å
Cell b
5.8859
Å
Cell c
6.0459
Å
α angle
72.12
°
β angle
70.45
°
γ angle
69.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Ga2Ru2C
Ho
2.00 · 28.6%
Ga
2.00 · 28.6%
Ru
2.00 · 28.6%
C
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5568
eV/atom
Corrected total energy
-46.8885
eV
Raw total energy
-46.8885
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0680
eV
DOS at Fermi level
3.3260
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_69_spg12

Decomposition

Ho2Ga2Ru2C

Computed at

2022-06-22 00:51:14.778048

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: agm004544896).

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 agm004544896
data_agm004544896
_cell_length_a     4.04664
_cell_length_b     5.88587
_cell_length_c     6.04591
_cell_angle_alpha  72.12036
_cell_angle_beta   70.44814
_cell_angle_gamma  69.89391
_cell_volume       124.39359
_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 0.56175 0.16474 0.71176 1.00000
  Ho2 Ho 0.43825 0.83526 0.28824 1.00000
  Ga1 Ga 0.14833 0.39019 0.31315 1.00000
  Ga2 Ga 0.85167 0.60981 0.68685 1.00000
  Ru1 Ru 0.19861 0.69451 0.90826 1.00000
  Ru2 Ru 0.80139 0.30549 0.09174 1.00000
  C1 C 0.00000 0.00000 0.00000 1.00000
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