Navigation

HEAS Data Platform · Materials Science Database

Ho6NiAg3Os2

Alexandria ALEX

Alex-ID: agm040648074 · Space group: Cmmm (#65)

Basic Information

Formula
Ho6NiAg3Os2
Alex-ID
agm040648074
Elements
4
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
260.46
ų
Cell a
7.6653
Å
Cell b
7.6653
Å
Cell c
7.3646
Å
α angle
90.00
°
β angle
90.00
°
γ angle
142.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6NiAg3Os2
Ho
6.00 · 50.0%
Ni
1.00 · 8.3%
Ag
3.00 · 25.0%
Os
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0183
eV/atom
Formation energy
-0.3402
eV/atom
Corrected total energy
-68.3501
eV
Raw total energy
-68.3501
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.6962
Total magnetisation
0.0012
μB

Additional Information

Prototype ID

AB2C3D6_176_spg12

Decomposition

Ho6Ag5Os Ho2AgOs HoNi

Computed at

2025-03-01 08:48:57

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: agm040648074).

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 agm040648074
data_agm040648074
_cell_length_a     7.66531
_cell_length_b     7.66531
_cell_length_c     7.36457
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  142.99370
_cell_volume       260.45571
_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 0.16725 0.83275 0.77639 1.00000
  Ho2 Ho 0.83275 0.16725 0.77639 1.00000
  Ho3 Ho 0.83275 0.16725 0.22361 1.00000
  Ho4 Ho 0.50000 0.50000 0.77638 1.00000
  Ho5 Ho 0.50000 0.50000 0.22362 1.00000
  Ho6 Ho 0.16725 0.83275 0.22361 1.00000
  Ni1 Ni 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.00000 0.00000 0.50000 1.00000
  Ag2 Ag 0.66570 0.33430 0.50000 1.00000
  Ag3 Ag 0.33430 0.66570 0.50000 1.00000
  Os1 Os 0.66555 0.33445 0.00000 1.00000
  Os2 Os 0.33445 0.66555 0.00000 1.00000
Get direct link