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Sm6Ho2Cd

Alexandria ALEX

Alex-ID: agm005679918 · Space group: P-1 (#2)

Basic Information

Formula
Sm6Ho2Cd
Alex-ID
agm005679918
Elements
3
Sites
18
Space group
P-1 (#2)
Crystal system
triclinic
Volume
570.13
ų
Cell a
6.1584
Å
Cell b
10.8040
Å
Cell c
12.4706
Å
α angle
43.80
°
β angle
94.74
°
γ angle
89.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm6Ho2Cd
Sm
12.00 · 66.7%
Ho
4.00 · 22.2%
Cd
2.00 · 11.1%

Energy & Stability

Energy above hull
0.0395
eV/atom
Formation energy
-0.0331
eV/atom
Corrected total energy
-77.4398
eV
Raw total energy
-77.4398
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0018
eV
DOS at Fermi level
23.1433
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_2007_spg2

Decomposition

SmHoCd Sm2Ho7 Sm

Computed at

2023-07-06 23:36:58.650872

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: agm005679918).

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 agm005679918
data_agm005679918
_cell_length_a     6.15840
_cell_length_b     10.80400
_cell_length_c     12.47065
_cell_angle_alpha  43.80314
_cell_angle_beta   94.73517
_cell_angle_gamma  89.91558
_cell_volume       570.12502
_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
  Sm1 Sm 0.35826 0.70096 0.66363 1.00000
  Sm2 Sm 0.16585 0.47376 0.34586 1.00000
  Sm3 Sm 0.64174 0.29904 0.33637 1.00000
  Sm4 Sm 0.83415 0.52623 0.65413 1.00000
  Sm5 Sm 0.64054 0.97676 0.33422 1.00000
  Sm6 Sm 0.75880 0.73872 0.01331 1.00000
  Sm7 Sm 0.35946 0.02325 0.66578 1.00000
  Sm8 Sm 0.24120 0.26128 0.98670 1.00000
  Sm9 Sm 0.24988 0.93330 0.98400 1.00000
  Sm10 Sm 0.17042 0.79176 0.34002 1.00000
  Sm11 Sm 0.75012 0.06670 0.01600 1.00000
  Sm12 Sm 0.82958 0.20824 0.65998 1.00000
  Ho1 Ho 0.25180 0.58132 0.00102 1.00000
  Ho2 Ho 0.13522 0.14316 0.32916 1.00000
  Ho3 Ho 0.74820 0.41870 0.99896 1.00000
  Ho4 Ho 0.86478 0.85682 0.67086 1.00000
  Cd1 Cd 0.34852 0.35818 0.67218 1.00000
  Cd2 Cd 0.65148 0.64182 0.32782 1.00000
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