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Y2Ho7Ni3

Alexandria ALEX

Alex-ID: agm101552172 · Space group: P1 (#1)

Basic Information

Formula
Y2Ho7Ni3
Alex-ID
agm101552172
Elements
3
Sites
12
Space group
P1 (#1)
Crystal system
triclinic
Volume
308.82
ų
Cell a
6.1525
Å
Cell b
6.1629
Å
Cell c
9.4150
Å
α angle
74.91
°
β angle
74.63
°
γ angle
65.60
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y2Ho7Ni3
Y
2.00 · 16.7%
Ho
7.00 · 58.3%
Ni
3.00 · 25.0%

Energy & Stability

Energy above hull
0.0937
eV/atom
Formation energy
-0.1603
eV/atom
Corrected total energy
-64.2515
eV
Raw total energy
-64.2515
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.1842
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

A2B3C7_696_spg8

Decomposition

YHo2Ni Ho3Ni

Computed at

2025-05-18 23:48:12

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: agm101552172).

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 agm101552172
data_agm101552172
_cell_length_a     6.15254
_cell_length_b     6.16287
_cell_length_c     9.41496
_cell_angle_alpha  74.90989
_cell_angle_beta   74.63343
_cell_angle_gamma  65.60113
_cell_volume       308.82341
_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 0.61760 0.78336 0.04400 1.00000
  Y2 Y 0.21992 0.38568 0.95325 1.00000
  Ho1 Ho 0.58733 0.40892 0.50295 1.00000
  Ho2 Ho 0.72222 0.20087 0.17955 1.00000
  Ho3 Ho 0.06960 0.61543 0.28097 1.00000
  Ho4 Ho 0.23482 0.02707 0.34816 1.00000
  Ho5 Ho 0.80800 0.27266 0.81971 1.00000
  Ho6 Ho 0.38587 0.91922 0.72232 1.00000
  Ho7 Ho 0.97114 0.76182 0.64834 1.00000
  Ni1 Ni 0.10682 0.89158 0.00183 1.00000
  Ni2 Ni 0.67686 0.92330 0.44163 1.00000
  Ni3 Ni 0.09983 0.31008 0.55727 1.00000
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