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Y2Ho7

Alexandria ALEX

Alex-ID: agm009865331 · Space group: P-1 (#2)

Basic Information

Formula
Y2Ho7
Alex-ID
agm009865331
Elements
2
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
281.24
ų
Cell a
6.1231
Å
Cell b
6.1205
Å
Cell c
7.9070
Å
α angle
75.10
°
β angle
82.57
°
γ angle
80.46
°

Composition

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

Energy & Stability

Energy above hull
0.0264
eV/atom
Formation energy
0.0243
eV/atom
Corrected total energy
-44.7573
eV
Raw total energy
-44.7573
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.6499
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_150_spg12

Decomposition

YHo8 Y5Ho

Computed at

2024-05-15 22:18:27.357262

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: agm009865331).

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 agm009865331
data_agm009865331
_cell_length_a     6.12314
_cell_length_b     6.12049
_cell_length_c     7.90699
_cell_angle_alpha  75.10407
_cell_angle_beta   82.57411
_cell_angle_gamma  80.45946
_cell_volume       281.23867
_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 0.66785 0.33362 0.66669 1.00000
  Y2 Y 0.33215 0.66638 0.33331 1.00000
  Ho1 Ho 0.55547 0.77813 0.88870 1.00000
  Ho2 Ho 0.44453 0.22187 0.11130 1.00000
  Ho3 Ho 0.77771 0.89017 0.44366 1.00000
  Ho4 Ho 0.22229 0.10983 0.55634 1.00000
  Ho5 Ho 0.88940 0.44341 0.22075 1.00000
  Ho6 Ho 0.11060 0.55659 0.77925 1.00000
  Ho7 Ho 0.00000 0.00000 0.00000 1.00000
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