Ho2(Ga3Os)3

Alexandria ALEX

Alex-ID: agm024685566 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula

Ho2(Ga3Os)3

Alex-ID

agm024685566

Elements

Sites

Space group

C2/c (#15)

Crystal system

monoclinic

Volume

475.16

Å³

Cell a

7.5366

Cell b

7.5366

Cell c

10.5837

α angle

69.31

β angle

69.31

γ angle

59.96

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Ho2(Ga3Os)3

4.00 · 14.3%

18.00 · 64.3%

6.00 · 21.4%

Energy & Stability

Energy above hull

0.0146

eV/atom

Formation energy

-0.4074

eV/atom

Corrected total energy

-151.6266

Raw total energy

-151.6266

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

11.0598

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A2B3C9_16_spg15

Decomposition

Ho2Ga10Os3 HoGa3Os Os

Computed at

2024-11-07 10:34:15.349868

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: agm024685566).

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 agm024685566
data_agm024685566
_cell_length_a     7.53663
_cell_length_b     7.53663
_cell_length_c     10.58369
_cell_angle_alpha  69.31018
_cell_angle_beta   69.31018
_cell_angle_gamma  59.96037
_cell_volume       475.15540
_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 0.75156 0.58579 0.74978 1.00000
  Ho2 Ho 0.24844 0.41421 0.25022 1.00000
  Ho3 Ho 0.41421 0.24844 0.75022 1.00000
  Ho4 Ho 0.58579 0.75156 0.24978 1.00000
  Ga1 Ga 0.08113 0.71020 0.74848 1.00000
  Ga2 Ga 0.91887 0.28980 0.25152 1.00000
  Ga3 Ga 0.28980 0.91887 0.75152 1.00000
  Ga4 Ga 0.71020 0.08113 0.24848 1.00000
  Ga5 Ga 0.35544 0.52796 0.92456 1.00000
  Ga6 Ga 0.64456 0.47204 0.07544 1.00000
  Ga7 Ga 0.47204 0.64456 0.57544 1.00000
  Ga8 Ga 0.52796 0.35544 0.42456 1.00000
  Ga9 Ga 0.86877 0.13123 0.75000 1.00000
  Ga10 Ga 0.13123 0.86877 0.25000 1.00000
  Ga11 Ga 0.01981 0.18542 0.93651 1.00000
  Ga12 Ga 0.98019 0.81458 0.06349 1.00000
  Ga13 Ga 0.81458 0.98019 0.56349 1.00000
  Ga14 Ga 0.18542 0.01981 0.43651 1.00000
  Ga15 Ga 0.14123 0.30412 0.57472 1.00000
  Ga16 Ga 0.85877 0.69588 0.42528 1.00000
  Ga17 Ga 0.69588 0.85877 0.92528 1.00000
  Ga18 Ga 0.30412 0.14123 0.07472 1.00000
  Os1 Os 0.00000 0.50000 0.00000 1.00000
  Os2 Os 0.50000 0.00000 0.50000 1.00000
  Os3 Os 0.82588 0.34848 0.49913 1.00000
  Os4 Os 0.17412 0.65152 0.50087 1.00000
  Os5 Os 0.65152 0.17412 0.00087 1.00000
  Os6 Os 0.34848 0.82588 0.99913 1.00000

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