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Y8Ho3

Alexandria ALEX

Alex-ID: agm005536089 · Space group: R-3 (#148)

Basic Information

Formula
Y8Ho3
Alex-ID
agm005536089
Elements
2
Sites
11
Space group
R-3 (#148)
Crystal system
trigonal
Volume
378.01
ų
Cell a
7.7015
Å
Cell b
7.7017
Å
Cell c
7.7016
Å
α angle
107.23
°
β angle
107.23
°
γ angle
107.23
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y8Ho3
Y
8.00 · 72.7%
Ho
3.00 · 27.3%

Energy & Stability

Energy above hull
0.4117
eV/atom
Formation energy
0.4067
eV/atom
Corrected total energy
-60.9660
eV
Raw total energy
-60.9660
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.3317
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B8_69_spg148

Decomposition

YHo8 Y5Ho

Computed at

2023-05-28 06:06:05.153947

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: agm005536089).

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 agm005536089
data_agm005536089
_cell_length_a     7.70151
_cell_length_b     7.70172
_cell_length_c     7.70162
_cell_angle_alpha  107.23317
_cell_angle_beta   107.23047
_cell_angle_gamma  107.23168
_cell_volume       378.01324
_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 0.69052 0.18154 0.03301 1.00000
  Y2 Y 0.03301 0.69052 0.18153 1.00000
  Y3 Y 0.18153 0.03301 0.69052 1.00000
  Y4 Y 0.74928 0.74928 0.74929 1.00000
  Y5 Y 0.25072 0.25072 0.25071 1.00000
  Y6 Y 0.81847 0.96699 0.30948 1.00000
  Y7 Y 0.96699 0.30948 0.81847 1.00000
  Y8 Y 0.30948 0.81846 0.96699 1.00000
  Ho1 Ho 1.00000 0.50000 0.50000 1.00000
  Ho2 Ho 0.50000 0.00000 0.50000 1.00000
  Ho3 Ho 0.50000 0.50000 0.00000 1.00000
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