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Ho8AlC4

Alexandria ALEX

Alex-ID: agm097985208 · Space group: P1 (#1)

Basic Information

Formula
Ho8AlC4
Alex-ID
agm097985208
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
272.49
ų
Cell a
3.4992
Å
Cell b
9.6435
Å
Cell c
9.2203
Å
α angle
61.61
°
β angle
92.60
°
γ angle
95.39
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8AlC4
Ho
8.00 · 61.5%
Al
1.00 · 7.7%
C
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1654
eV/atom
Formation energy
-0.1821
eV/atom
Corrected total energy
-79.6363
eV
Raw total energy
-79.6363
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
7.1931
Total magnetisation
-0.0088
μB

Additional Information

Prototype ID

AB4C8_1300_spg6

Decomposition

Ho4C5 Ho3AlC Ho2C

Computed at

2025-06-07 09:25:10

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: agm097985208).

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 agm097985208
data_agm097985208
_cell_length_a     3.49920
_cell_length_b     9.64347
_cell_length_c     9.22031
_cell_angle_alpha  61.60572
_cell_angle_beta   92.59916
_cell_angle_gamma  95.38754
_cell_volume       272.49412
_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 0.79847 0.38302 0.08571 1.00000
  Ho2 Ho 0.96664 0.73503 0.11090 1.00000
  Ho3 Ho 0.67868 0.64125 0.50448 1.00000
  Ho4 Ho 0.64246 0.04876 0.71453 1.00000
  Ho5 Ho 0.21844 0.98872 0.37878 1.00000
  Ho6 Ho 0.20618 0.38310 0.39796 1.00000
  Ho7 Ho 0.20209 0.31045 0.78941 1.00000
  Ho8 Ho 0.22248 0.70235 0.78373 1.00000
  Al1 Al 0.63948 0.03309 0.05043 1.00000
  C1 C 0.13631 0.01154 0.91488 1.00000
  C2 C 0.38880 0.56090 0.09220 1.00000
  C3 C 0.68510 0.34370 0.58980 1.00000
  C4 C 0.71486 0.85808 0.58717 1.00000
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