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YHo(TmBi2)2

Alexandria ALEX

Alex-ID: agm034119897 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
YHo(TmBi2)2
Alex-ID
agm034119897
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
249.86
ų
Cell a
7.7107
Å
Cell b
4.4543
Å
Cell c
7.7139
Å
α angle
90.00
°
β angle
109.43
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YHo(TmBi2)2
Y
1.00 · 12.5%
Ho
1.00 · 12.5%
Tm
2.00 · 25.0%
Bi
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0053
eV/atom
Formation energy
-0.8241
eV/atom
Corrected total energy
-42.1011
eV
Raw total energy
-42.1011
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0009
eV
DOS at Fermi level
1.2408
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_47_spg10

Decomposition

HoTm3Bi4 Y3HoBi4

Computed at

2025-01-07 05:50:15

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: agm034119897).

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 agm034119897
data_agm034119897
_cell_length_a     7.71074
_cell_length_b     4.45434
_cell_length_c     7.71393
_cell_angle_alpha  90.00000
_cell_angle_beta   109.42750
_cell_angle_gamma  90.00000
_cell_volume       249.85936
_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 0.50000 0.00000 1.00000
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  Tm1 Tm 0.50000 0.00000 0.00000 1.00000
  Tm2 Tm 0.50000 0.50000 0.50000 1.00000
  Bi1 Bi 0.74661 0.00000 0.74813 1.00000
  Bi2 Bi 0.25339 0.00000 0.25187 1.00000
  Bi3 Bi 0.74721 0.50000 0.24987 1.00000
  Bi4 Bi 0.25279 0.50000 0.75013 1.00000
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