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Ho2Tm3Mg

Alexandria ALEX

Alex-ID: agm034630479 · Space group: Cmmm (#65)

Basic Information

Formula
Ho2Tm3Mg
Alex-ID
agm034630479
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
176.91
ų
Cell a
9.1816
Å
Cell b
9.1816
Å
Cell c
3.6951
Å
α angle
90.00
°
β angle
90.00
°
γ angle
145.39
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Tm3Mg
Ho
2.00 · 33.3%
Tm
3.00 · 50.0%
Mg
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0430
eV/atom
Formation energy
0.0075
eV/atom
Corrected total energy
-24.1209
eV
Raw total energy
-24.1209
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.1163
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C3_103_spg139

Decomposition

HoTmMg HoTm5 Ho2Mg

Computed at

2025-04-13 16:41:23

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: agm034630479).

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 agm034630479
data_agm034630479
_cell_length_a     9.18156
_cell_length_b     9.18156
_cell_length_c     3.69510
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  145.39366
_cell_volume       176.91250
_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 0.81530 0.18470 0.00000 1.00000
  Ho2 Ho 0.18470 0.81530 0.00000 1.00000
  Tm1 Tm 0.35495 0.64505 0.50000 1.00000
  Tm2 Tm 0.00000 0.00000 0.50000 1.00000
  Tm3 Tm 0.64505 0.35495 0.50000 1.00000
  Mg1 Mg 0.50000 0.50000 0.00000 1.00000
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