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SmDyHo14

Alexandria ALEX

Alex-ID: agm005787643 · Space group: Amm2 (#38)

Basic Information

Formula
SmDyHo14
Alex-ID
agm005787643
Elements
3
Sites
16
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
497.04
ų
Cell a
7.0930
Å
Cell b
7.0930
Å
Cell c
11.4046
Å
α angle
90.00
°
β angle
90.00
°
γ angle
119.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SmDyHo14
Sm
1.00 · 6.3%
Dy
1.00 · 6.3%
Ho
14.00 · 87.5%

Energy & Stability

Energy above hull
0.0089
eV/atom
Formation energy
0.0057
eV/atom
Corrected total energy
-73.3347
eV
Raw total energy
-73.3347
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0033
eV
DOS at Fermi level
19.5978
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC14_20_spg38

Decomposition

SmHo8 DyHo8 Dy2Ho7

Computed at

2023-07-19 04:35:49.579559

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: agm005787643).

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 agm005787643
data_agm005787643
_cell_length_a     7.09304
_cell_length_b     7.09304
_cell_length_c     11.40458
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.97360
_cell_volume       497.03893
_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 0.70798 0.29202 0.50000 1.00000
  Dy1 Dy 0.20802 0.79198 0.50000 1.00000
  Ho1 Ho 0.04188 0.95812 0.00000 1.00000
  Ho2 Ho 0.54188 0.45812 0.00000 1.00000
  Ho3 Ho 0.20802 0.29184 0.50000 1.00000
  Ho4 Ho 0.04217 0.45816 0.00000 1.00000
  Ho5 Ho 0.70816 0.79198 0.50000 1.00000
  Ho6 Ho 0.54184 0.95783 0.00000 1.00000
  Ho7 Ho 0.37467 0.12485 0.75144 1.00000
  Ho8 Ho 0.37467 0.12485 0.24856 1.00000
  Ho9 Ho 0.87515 0.62533 0.75144 1.00000
  Ho10 Ho 0.87515 0.62533 0.24856 1.00000
  Ho11 Ho 0.37507 0.62493 0.75019 1.00000
  Ho12 Ho 0.37507 0.62493 0.24981 1.00000
  Ho13 Ho 0.87513 0.12487 0.75121 1.00000
  Ho14 Ho 0.87513 0.12487 0.24879 1.00000
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