Ho16Mg3GaNi4

Alexandria ALEX

Alex-ID: agm020913064 · Space group: R3m (#160)

Alexandria Database API

Basic Information

Formula

Ho16Mg3GaNi4

Alex-ID

agm020913064

Elements

Sites

Space group

R3m (#160)

Crystal system

trigonal

Volume

611.34

Å³

Cell a

9.4926

Cell b

9.4926

Cell c

9.4926

α angle

60.48

β angle

60.48

γ angle

60.48

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Ho16Mg3GaNi4

16.00 · 66.7%

3.00 · 12.5%

1.00 · 4.2%

4.00 · 16.7%

Energy & Stability

Energy above hull

0.0000

eV/atom

Formation energy

-0.2558

eV/atom

Corrected total energy

-110.3443

Raw total energy

-110.3443

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

27.7462

Total magnetisation

0.0003

μB

Additional Information

Prototype ID

AB3C4D16_19_spg160

Decomposition

Ho16Mg3GaNi4

Computed at

2024-09-14 01:26:49.250894

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: agm020913064).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm020913064
data_agm020913064
_cell_length_a     9.49260
_cell_length_b     9.49260
_cell_length_c     9.49260
_cell_angle_alpha  60.47534
_cell_angle_beta   60.47534
_cell_angle_gamma  60.47534
_cell_volume       611.33892
_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 0.56419 0.93050 0.56419 1.00000
  Ho2 Ho 0.93050 0.56419 0.56419 1.00000
  Ho3 Ho 0.56419 0.56419 0.93050 1.00000
  Ho4 Ho 0.93459 0.56479 0.93459 1.00000
  Ho5 Ho 0.56479 0.93459 0.93459 1.00000
  Ho6 Ho 0.93459 0.93459 0.56479 1.00000
  Ho7 Ho 0.18691 0.81279 0.18691 1.00000
  Ho8 Ho 0.81279 0.18691 0.18691 1.00000
  Ho9 Ho 0.18691 0.18691 0.81279 1.00000
  Ho10 Ho 0.81018 0.18977 0.81018 1.00000
  Ho11 Ho 0.18977 0.81018 0.81018 1.00000
  Ho12 Ho 0.81018 0.81018 0.18977 1.00000
  Ho13 Ho 0.34593 0.34593 0.34593 1.00000
  Ho14 Ho 0.34805 0.34805 0.95694 1.00000
  Ho15 Ho 0.95694 0.34805 0.34805 1.00000
  Ho16 Ho 0.34805 0.95694 0.34805 1.00000
  Mg1 Mg 0.58070 0.58070 0.26727 1.00000
  Mg2 Mg 0.26727 0.58070 0.58070 1.00000
  Mg3 Mg 0.58070 0.26727 0.58070 1.00000
  Ga1 Ga 0.58371 0.58371 0.58371 1.00000
  Ni1 Ni 0.14247 0.14247 0.14247 1.00000
  Ni2 Ni 0.14150 0.14150 0.57357 1.00000
  Ni3 Ni 0.57357 0.14150 0.14150 1.00000
  Ni4 Ni 0.14150 0.57357 0.14150 1.00000

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