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Y10HoTm2

Alexandria ALEX

Alex-ID: agm003385932 · Space group: Fmmm (#69)

Basic Information

Formula
Y10HoTm2
Alex-ID
agm003385932
Elements
3
Sites
13
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
438.13
ų
Cell a
6.5364
Å
Cell b
8.4011
Å
Cell c
9.2570
Å
α angle
82.11
°
β angle
69.33
°
γ angle
67.11
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y10HoTm2
Y
10.00 · 76.9%
Ho
1.00 · 7.7%
Tm
2.00 · 15.4%

Energy & Stability

Energy above hull
0.2964
eV/atom
Formation energy
0.2899
eV/atom
Corrected total energy
-74.3833
eV
Raw total energy
-74.3833
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
30.7982
Total magnetisation
-0.0146
μB

Additional Information

Prototype ID

AB2C10_0_spg69

Decomposition

Y5Tm HoTm5 Y5Ho

Computed at

2022-02-12 12:19:22.683750

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: agm003385932).

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 agm003385932
data_agm003385932
_cell_length_a     6.53638
_cell_length_b     8.40110
_cell_length_c     9.25702
_cell_angle_alpha  82.10585
_cell_angle_beta   69.32601
_cell_angle_gamma  67.10649
_cell_volume       438.13209
_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 0.34835 0.63739 0.66591 1.00000
  Y2 Y 0.65165 0.36261 0.33409 1.00000
  Y3 Y 0.98574 0.36261 0.66591 1.00000
  Y4 Y 0.01426 0.63739 0.33409 1.00000
  Y5 Y 0.00000 0.00000 0.50000 1.00000
  Y6 Y 0.50000 0.00000 0.50000 1.00000
  Y7 Y 0.29567 0.20759 0.20106 1.00000
  Y8 Y 0.70433 0.79241 0.79894 1.00000
  Y9 Y 0.50327 0.79241 0.20106 1.00000
  Y10 Y 0.49673 0.20759 0.79894 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.00000 0.50000 0.00000 1.00000
  Tm2 Tm 0.50000 0.50000 0.00000 1.00000
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