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Ho(Cu2Au)4

Alexandria ALEX

Alex-ID: agm097918459 · Space group: P1 (#1)

Basic Information

Formula
Ho(Cu2Au)4
Alex-ID
agm097918459
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
204.07
ų
Cell a
4.8061
Å
Cell b
6.2631
Å
Cell c
7.7419
Å
α angle
118.37
°
β angle
86.11
°
γ angle
95.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(Cu2Au)4
Ho
1.00 · 7.7%
Cu
8.00 · 61.5%
Au
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1752
eV/atom
Formation energy
-0.0540
eV/atom
Corrected total energy
-51.6700
eV
Raw total energy
-51.6700
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.2786
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1468_spg6

Decomposition

HoAu4 Cu

Computed at

2025-06-15 05:50:28

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: agm097918459).

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 agm097918459
data_agm097918459
_cell_length_a     4.80611
_cell_length_b     6.26313
_cell_length_c     7.74192
_cell_angle_alpha  118.36500
_cell_angle_beta   86.11085
_cell_angle_gamma  95.43235
_cell_volume       204.07208
_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
  Ho1 Ho 0.26490 0.91355 0.83566 1.00000
  Cu1 Cu 0.22116 0.03773 0.26099 1.00000
  Cu2 Cu 0.71908 0.55129 0.75626 1.00000
  Cu3 Cu 0.35400 0.81117 0.42636 1.00000
  Cu4 Cu 0.79698 0.29387 0.93023 1.00000
  Cu5 Cu 0.84787 0.70962 0.24157 1.00000
  Cu6 Cu 0.69010 0.14263 0.46115 1.00000
  Cu7 Cu 0.52534 0.39183 0.27548 1.00000
  Cu8 Cu 0.78533 0.88532 0.61975 1.00000
  Au1 Au 0.75007 0.97529 0.06969 1.00000
  Au2 Au 0.01999 0.47424 0.42777 1.00000
  Au3 Au 0.33545 0.55528 0.03985 1.00000
  Au4 Au 0.18974 0.25819 0.65525 1.00000
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