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Y(Ho4Tm3)2

Alexandria ALEX

Alex-ID: agm003696972 · Space group: R-3 (#148)

Alexandria Database API

Basic Information

Formula
Y(Ho4Tm3)2
Alex-ID
agm003696972
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
470.41
ų
Cell a
8.9346
Å
Cell b
8.9346
Å
Cell c
8.5388
Å
α angle
58.45
°
β angle
58.45
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y(Ho4Tm3)2
Y
1.00 · 6.7%
Ho
8.00 · 53.3%
Tm
6.00 · 40.0%

Energy & Stability

Energy above hull
0.1435
eV/atom
Formation energy
0.1377
eV/atom
Corrected total energy
-67.8547
eV
Raw total energy
-67.8547
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.6042
Total magnetisation
0.0006
μB

Additional Information

Prototype ID

AB6C8_70_spg148

Decomposition

HoTm2 Ho7Tm2 Y5Ho

Computed at

2022-04-13 15:54:05.006518

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: agm003696972).

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 agm003696972
data_agm003696972
_cell_length_a     8.93460
_cell_length_b     8.93460
_cell_length_c     8.53876
_cell_angle_alpha  58.45425
_cell_angle_beta   58.45425
_cell_angle_gamma  60.00000
_cell_volume       470.41182
_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
  Y1 Y 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.72037 0.10954 0.42677 1.00000
  Ho2 Ho 0.89046 0.25669 0.57323 1.00000
  Ho3 Ho 0.25669 0.27963 0.57323 1.00000
  Ho4 Ho 0.57655 0.57655 0.27034 1.00000
  Ho5 Ho 0.42345 0.42345 0.72966 1.00000
  Ho6 Ho 0.74331 0.72037 0.42677 1.00000
  Ho7 Ho 0.10954 0.74331 0.42677 1.00000
  Ho8 Ho 0.27963 0.89046 0.57323 1.00000
  Tm1 Tm 0.45985 0.88994 0.87937 1.00000
  Tm2 Tm 0.11006 0.22916 0.12063 1.00000
  Tm3 Tm 0.22916 0.54015 0.12063 1.00000
  Tm4 Tm 0.77084 0.45985 0.87937 1.00000
  Tm5 Tm 0.88994 0.77084 0.87937 1.00000
  Tm6 Tm 0.54015 0.11006 0.12063 1.00000
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