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Sm4Ho7

Alexandria ALEX

Alex-ID: agm009957445 · Space group: Immm (#71)

Basic Information

Formula
Sm4Ho7
Alex-ID
agm009957445
Elements
2
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
354.64
ų
Cell a
18.8357
Å
Cell b
18.8357
Å
Cell c
3.5525
Å
α angle
73.63
°
β angle
73.63
°
γ angle
17.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm4Ho7
Sm
4.00 · 36.4%
Ho
7.00 · 63.6%

Energy & Stability

Energy above hull
0.0479
eV/atom
Formation energy
0.0444
eV/atom
Corrected total energy
-50.4556
eV
Raw total energy
-50.4556
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.8840
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A4B7_289_spg12

Decomposition

Sm2Ho7 Sm

Computed at

2024-05-13 00:53:24.264610

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: agm009957445).

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 agm009957445
data_agm009957445
_cell_length_a     18.83571
_cell_length_b     18.83571
_cell_length_c     3.55246
_cell_angle_alpha  73.63030
_cell_angle_beta   73.63030
_cell_angle_gamma  17.07105
_cell_volume       354.64307
_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 0.90980 0.90980 0.27369 1.00000
  Sm2 Sm 0.73332 0.73332 0.80002 1.00000
  Sm3 Sm 0.26668 0.26668 0.19998 1.00000
  Sm4 Sm 0.09020 0.09020 0.72631 1.00000
  Ho1 Ho 0.44955 0.44955 0.65417 1.00000
  Ho2 Ho 0.55045 0.55045 0.34583 1.00000
  Ho3 Ho 0.17580 0.17580 0.97062 1.00000
  Ho4 Ho 0.82420 0.82420 0.02938 1.00000
  Ho5 Ho 0.35724 0.35724 0.43006 1.00000
  Ho6 Ho 0.64276 0.64276 0.56994 1.00000
  Ho7 Ho 0.00000 0.00000 0.00000 1.00000
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