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Y3Ho2CdRh6

Alexandria ALEX

Alex-ID: agm024906798 · Space group: Cmmm (#65)

Basic Information

Formula
Y3Ho2CdRh6
Alex-ID
agm024906798
Elements
4
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
233.26
ų
Cell a
7.5895
Å
Cell b
7.5895
Å
Cell c
6.7440
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y3Ho2CdRh6
Y
3.00 · 25.0%
Ho
2.00 · 16.7%
Cd
1.00 · 8.3%
Rh
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0236
eV/atom
Formation energy
-0.7720
eV/atom
Corrected total energy
-82.8424
eV
Raw total energy
-82.8424
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.6661
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_242_spg12

Decomposition

Y2HoRh3 Y4CdRh5 Ho4CdRh5

Computed at

2025-02-06 19:03:16

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: agm024906798).

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 agm024906798
data_agm024906798
_cell_length_a     7.58946
_cell_length_b     7.58946
_cell_length_c     6.74397
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.09588
_cell_volume       233.25689
_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 0.83348 0.16652 0.00000 1.00000
  Y2 Y 0.16652 0.83348 0.00000 1.00000
  Y3 Y 0.50000 0.50000 0.00000 1.00000
  Ho1 Ho 0.15923 0.84077 0.50000 1.00000
  Ho2 Ho 0.84077 0.15923 0.50000 1.00000
  Cd1 Cd 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.33145 0.66855 0.74534 1.00000
  Rh2 Rh 0.00000 0.00000 0.24563 1.00000
  Rh3 Rh 0.66855 0.33145 0.25466 1.00000
  Rh4 Rh 0.66855 0.33145 0.74534 1.00000
  Rh5 Rh 0.00000 0.00000 0.75437 1.00000
  Rh6 Rh 0.33145 0.66855 0.25466 1.00000
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