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HoMgIn4

Alexandria ALEX

Alex-ID: agm003752115 · Space group: P4/mmm (#123)

Basic Information

Formula
HoMgIn4
Alex-ID
agm003752115
Elements
3
Sites
6
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
173.14
ų
Cell a
4.6780
Å
Cell b
4.6807
Å
Cell c
7.9073
Å
α angle
89.98
°
β angle
89.99
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoMgIn4
Ho
1.00 · 16.7%
Mg
1.00 · 16.7%
In
4.00 · 66.7%

Energy & Stability

Energy above hull
0.2931
eV/atom
Formation energy
0.0144
eV/atom
Corrected total energy
-17.1656
eV
Raw total energy
-17.1656
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.8330
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_169_spg123

Decomposition

MgIn6 Mg4In3 HoIn3

Computed at

2022-04-18 16:16:05.125553

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: agm003752115).

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 agm003752115
data_agm003752115
_cell_length_a     4.67798
_cell_length_b     4.68067
_cell_length_c     7.90730
_cell_angle_alpha  89.98364
_cell_angle_beta   89.98748
_cell_angle_gamma  90.00645
_cell_volume       173.13898
_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 0.50120 0.49745 0.99820 1.00000
  Mg1 Mg 0.00143 0.99708 0.49806 1.00000
  In1 In 0.50143 0.99718 0.26922 1.00000
  In2 In 0.50127 0.99762 0.72706 1.00000
  In3 In 0.00132 0.49715 0.72683 1.00000
  In4 In 0.00114 0.49726 0.26946 1.00000
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