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Y2Ho7

Alexandria ALEX

Alex-ID: agm009136602 · Space group: C2/m (#12)

Basic Information

Formula
Y2Ho7
Alex-ID
agm009136602
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
280.62
ų
Cell a
7.8719
Å
Cell b
7.8719
Å
Cell c
10.6322
Å
α angle
76.98
°
β angle
76.98
°
γ angle
25.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y2Ho7
Y
2.00 · 22.2%
Ho
7.00 · 77.8%

Energy & Stability

Energy above hull
0.0208
eV/atom
Formation energy
0.0187
eV/atom
Corrected total energy
-44.8078
eV
Raw total energy
-44.8078
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.6838
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_131_spg2

Decomposition

YHo8 Y5Ho

Computed at

2024-05-10 18:42:08.024659

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: agm009136602).

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 agm009136602
data_agm009136602
_cell_length_a     7.87190
_cell_length_b     7.87190
_cell_length_c     10.63219
_cell_angle_alpha  76.98415
_cell_angle_beta   76.98415
_cell_angle_gamma  25.96286
_cell_volume       280.62427
_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 0.66613 0.66613 0.11222 1.00000
  Y2 Y 0.33387 0.33387 0.88778 1.00000
  Ho1 Ho 0.99932 0.99932 0.33491 1.00000
  Ho2 Ho 0.00068 0.00068 0.66509 1.00000
  Ho3 Ho 0.33449 0.33449 0.22264 1.00000
  Ho4 Ho 0.66551 0.66551 0.77736 1.00000
  Ho5 Ho 0.66710 0.66710 0.44416 1.00000
  Ho6 Ho 0.33290 0.33290 0.55584 1.00000
  Ho7 Ho 0.00000 0.00000 0.00000 1.00000
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