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Ho4MgIn2

Alexandria ALEX

Alex-ID: agm003449097 · Space group: P2_1/m (#11)

Basic Information

Formula
Ho4MgIn2
Alex-ID
agm003449097
Elements
3
Sites
14
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
398.04
ų
Cell a
7.4937
Å
Cell b
6.4336
Å
Cell c
9.2164
Å
α angle
90.00
°
β angle
116.39
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4MgIn2
Ho
8.00 · 57.1%
Mg
2.00 · 14.3%
In
4.00 · 28.6%

Energy & Stability

Energy above hull
0.2038
eV/atom
Formation energy
-0.1177
eV/atom
Corrected total energy
-52.5442
eV
Raw total energy
-52.5442
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0127
eV
DOS at Fermi level
12.4056
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_900_spg11

Decomposition

Ho2In Ho2MgIn

Computed at

2022-02-18 00:25:28.169686

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: agm003449097).

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 agm003449097
data_agm003449097
_cell_length_a     7.49375
_cell_length_b     6.43363
_cell_length_c     9.21640
_cell_angle_alpha  90.00000
_cell_angle_beta   116.38968
_cell_angle_gamma  90.00000
_cell_volume       398.03739
_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 0.57389 0.49593 0.21853 1.00000
  Ho2 Ho 0.02996 0.75000 0.83236 1.00000
  Ho3 Ho 0.97004 0.25000 0.16764 1.00000
  Ho4 Ho 0.57389 0.00407 0.21853 1.00000
  Ho5 Ho 0.97161 0.25000 0.54863 1.00000
  Ho6 Ho 0.42611 0.99593 0.78147 1.00000
  Ho7 Ho 0.42611 0.50407 0.78147 1.00000
  Ho8 Ho 0.02839 0.75000 0.45137 1.00000
  Mg1 Mg 0.22182 0.75000 0.21548 1.00000
  Mg2 Mg 0.77818 0.25000 0.78452 1.00000
  In1 In 0.79730 0.75000 0.05340 1.00000
  In2 In 0.20270 0.25000 0.94660 1.00000
  In3 In 0.40028 0.25000 0.46117 1.00000
  In4 In 0.59972 0.75000 0.53883 1.00000
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