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Ho7TmMg4

Alexandria ALEX

Alex-ID: agm003668872 · Space group: C2/m (#12)

Basic Information

Formula
Ho7TmMg4
Alex-ID
agm003668872
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
349.77
ų
Cell a
5.7134
Å
Cell b
9.0002
Å
Cell c
8.0149
Å
α angle
68.43
°
β angle
69.12
°
γ angle
71.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho7TmMg4
Ho
7.00 · 58.3%
Tm
1.00 · 8.3%
Mg
4.00 · 33.3%

Energy & Stability

Energy above hull
0.2451
eV/atom
Formation energy
0.1839
eV/atom
Corrected total energy
-40.6931
eV
Raw total energy
-40.6931
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
15.2713
Total magnetisation
0.3354
μB

Additional Information

Prototype ID

AB4C7_86_spg12

Decomposition

HoTmMg Ho2Mg

Computed at

2022-04-20 10:50:30.207768

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: agm003668872).

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 agm003668872
data_agm003668872
_cell_length_a     5.71340
_cell_length_b     9.00025
_cell_length_c     8.01493
_cell_angle_alpha  68.42646
_cell_angle_beta   69.11935
_cell_angle_gamma  71.49409
_cell_volume       349.76711
_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 0.79766 0.87840 0.52628 1.00000
  Ho2 Ho 0.20234 0.12160 0.47372 1.00000
  Ho3 Ho 0.07951 0.57596 0.26503 1.00000
  Ho4 Ho 0.92049 0.42404 0.73497 1.00000
  Ho5 Ho 0.24969 0.71290 0.78771 1.00000
  Ho6 Ho 0.50000 0.00000 0.00000 1.00000
  Ho7 Ho 0.75031 0.28710 0.21229 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
  Mg1 Mg 0.54217 0.30202 0.61365 1.00000
  Mg2 Mg 0.45783 0.69798 0.38635 1.00000
  Mg3 Mg 0.67496 0.65400 0.99609 1.00000
  Mg4 Mg 0.32504 0.34600 0.00391 1.00000
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