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YHo4

Alexandria ALEX

Alex-ID: agm010169729 · Space group: Fddd (#70)

Basic Information

Formula
YHo4
Alex-ID
agm010169729
Elements
2
Sites
10
Space group
Fddd (#70)
Crystal system
orthorhombic
Volume
313.07
ų
Cell a
10.3529
Å
Cell b
9.1234
Å
Cell c
6.6105
Å
α angle
80.58
°
β angle
60.38
°
γ angle
39.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YHo4
Y
2.00 · 20.0%
Ho
8.00 · 80.0%

Energy & Stability

Energy above hull
0.1179
eV/atom
Formation energy
0.1159
eV/atom
Corrected total energy
-48.3952
eV
Raw total energy
-48.3952
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
19.1991
Total magnetisation
-0.0006
μB

Additional Information

Prototype ID

AB4_527_spg139

Decomposition

YHo8 Y5Ho

Computed at

2024-05-17 08:04:01.434050

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: agm010169729).

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 agm010169729
data_agm010169729
_cell_length_a     10.35289
_cell_length_b     9.12337
_cell_length_c     6.61046
_cell_angle_alpha  80.57529
_cell_angle_beta   60.38240
_cell_angle_gamma  39.04231
_cell_volume       313.07424
_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 0.25000 0.25000 0.25000 1.00000
  Y2 Y 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.79987 0.79987 0.20013 1.00000
  Ho2 Ho 0.20013 0.20013 0.79987 1.00000
  Ho3 Ho 0.64974 0.64974 0.85026 1.00000
  Ho4 Ho 0.85026 0.85026 0.64974 1.00000
  Ho5 Ho 0.60026 0.60026 0.39974 1.00000
  Ho6 Ho 0.39974 0.39974 0.60026 1.00000
  Ho7 Ho 0.04987 0.04987 0.45013 1.00000
  Ho8 Ho 0.45013 0.45013 0.04987 1.00000
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