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DyHo3(TmRh3)2

Alexandria ALEX

Alex-ID: agm045840064 · Space group: Immm (#71)

Basic Information

Formula
DyHo3(TmRh3)2
Alex-ID
agm045840064
Elements
4
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
236.18
ų
Cell a
8.3260
Å
Cell b
8.3260
Å
Cell c
8.3260
Å
α angle
146.42
°
β angle
131.70
°
γ angle
60.11
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyHo3(TmRh3)2
Dy
1.00 · 8.3%
Ho
3.00 · 25.0%
Tm
2.00 · 16.7%
Rh
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0111
eV/atom
Formation energy
-0.9228
eV/atom
Corrected total energy
-82.4649
eV
Raw total energy
-82.4649
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0028
eV
DOS at Fermi level
6.1393
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_530_spg12

Decomposition

HoTm2Rh3 DyHo2Rh3

Computed at

2024-11-29 23:32:23.838476

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: agm045840064).

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 agm045840064
data_agm045840064
_cell_length_a     8.32601
_cell_length_b     8.32601
_cell_length_c     8.32601
_cell_angle_alpha  146.42056
_cell_angle_beta   131.69562
_cell_angle_gamma  60.11287
_cell_volume       236.17618
_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
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.16738 0.66738 0.50000 1.00000
  Ho2 Ho 0.83262 0.33262 0.50000 1.00000
  Ho3 Ho 0.50000 0.00000 0.50000 1.00000
  Tm1 Tm 0.33352 0.33352 0.00000 1.00000
  Tm2 Tm 0.66648 0.66648 0.00000 1.00000
  Rh1 Rh 0.41846 0.16743 0.25102 1.00000
  Rh2 Rh 0.25209 0.50000 0.75209 1.00000
  Rh3 Rh 0.58154 0.83257 0.74898 1.00000
  Rh4 Rh 0.08359 0.83257 0.25102 1.00000
  Rh5 Rh 0.74791 0.50000 0.24791 1.00000
  Rh6 Rh 0.91641 0.16743 0.74898 1.00000
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