Navigation

HEAS Data Platform · Materials Science Database

Y7Ho4

Alexandria ALEX

Alex-ID: agm009409677 · Space group: Immm (#71)

Basic Information

Formula
Y7Ho4
Alex-ID
agm009409677
Elements
2
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
349.46
ų
Cell a
20.5351
Å
Cell b
20.5351
Å
Cell c
3.5698
Å
α angle
105.11
°
β angle
105.11
°
γ angle
13.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y7Ho4
Y
7.00 · 63.6%
Ho
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0252
eV/atom
Formation energy
0.0207
eV/atom
Corrected total energy
-63.3274
eV
Raw total energy
-63.3274
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.9147
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B7_14_spg115

Decomposition

YHo8 Y5Ho

Computed at

2024-05-10 23:40:35.518968

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: agm009409677).

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 agm009409677
data_agm009409677
_cell_length_a     20.53510
_cell_length_b     20.53510
_cell_length_c     3.56976
_cell_angle_alpha  105.11443
_cell_angle_beta   105.11443
_cell_angle_gamma  13.92182
_cell_volume       349.46125
_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
  Y1 Y 0.90942 0.90942 0.22885 1.00000
  Y2 Y 0.72702 0.72702 0.68115 1.00000
  Y3 Y 0.27298 0.27298 0.31885 1.00000
  Y4 Y 0.09058 0.09058 0.77115 1.00000
  Y5 Y 0.36355 0.36355 0.59074 1.00000
  Y6 Y 0.63645 0.63645 0.40926 1.00000
  Y7 Y 0.00000 0.00000 0.50000 1.00000
  Ho1 Ho 0.45469 0.45469 0.86459 1.00000
  Ho2 Ho 0.54531 0.54531 0.13541 1.00000
  Ho3 Ho 0.18174 0.18174 0.04545 1.00000
  Ho4 Ho 0.81826 0.81826 0.95455 1.00000
Get direct link