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Ho3Tm4

Alexandria ALEX

Alex-ID: agm009148677 · Space group: C2/m (#12)

Basic Information

Formula
Ho3Tm4
Alex-ID
agm009148677
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
214.28
ų
Cell a
6.7313
Å
Cell b
6.7313
Å
Cell c
6.1864
Å
α angle
80.52
°
β angle
80.52
°
γ angle
51.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Tm4
Ho
3.00 · 42.9%
Tm
4.00 · 57.1%

Energy & Stability

Energy above hull
0.1393
eV/atom
Formation energy
0.1321
eV/atom
Corrected total energy
-30.6966
eV
Raw total energy
-30.6966
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
15.5621
Total magnetisation
-0.0011
μB

Additional Information

Prototype ID

A3B4_167_spg12

Decomposition

HoTm2 Ho7Tm2

Computed at

2024-05-04 05:37:35.920233

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: agm009148677).

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 agm009148677
data_agm009148677
_cell_length_a     6.73132
_cell_length_b     6.73132
_cell_length_c     6.18640
_cell_angle_alpha  80.51626
_cell_angle_beta   80.51626
_cell_angle_gamma  51.03258
_cell_volume       214.27878
_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 0.00000 0.00000 0.50000 1.00000
  Ho2 Ho 0.42661 0.42661 0.78462 1.00000
  Ho3 Ho 0.57339 0.57339 0.21538 1.00000
  Tm1 Tm 0.85856 0.85856 0.07589 1.00000
  Tm2 Tm 0.14144 0.14144 0.92411 1.00000
  Tm3 Tm 0.28370 0.28370 0.35194 1.00000
  Tm4 Tm 0.71630 0.71630 0.64806 1.00000
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