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Sm(HoAg2)4

Alexandria ALEX

Alex-ID: agm097938692 · Space group: Pm (#6)

Basic Information

Formula
Sm(HoAg2)4
Alex-ID
agm097938692
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
300.72
ų
Cell a
7.6347
Å
Cell b
4.7040
Å
Cell c
9.9109
Å
α angle
90.00
°
β angle
122.34
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm(HoAg2)4
Sm
1.00 · 7.7%
Ho
4.00 · 30.8%
Ag
8.00 · 61.5%

Energy & Stability

Energy above hull
0.1083
eV/atom
Formation energy
-0.2059
eV/atom
Corrected total energy
-48.5242
eV
Raw total energy
-48.5242
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.4198
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1216_spg6

Decomposition

Sm4HoAg5 HoAg2 SmHo4Ag5

Computed at

2025-06-01 22:45:40

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: agm097938692).

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 agm097938692
data_agm097938692
_cell_length_a     7.63473
_cell_length_b     4.70399
_cell_length_c     9.91092
_cell_angle_alpha  90.00000
_cell_angle_beta   122.34195
_cell_angle_gamma  90.00000
_cell_volume       300.72115
_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 0.13472 0.00000 0.10713 1.00000
  Ho1 Ho 0.75211 0.50000 0.82180 1.00000
  Ho2 Ho 0.91219 0.50000 0.52053 1.00000
  Ho3 Ho 0.38168 0.50000 0.95224 1.00000
  Ho4 Ho 0.53570 0.00000 0.51724 1.00000
  Ag1 Ag 0.99119 0.00000 0.76246 1.00000
  Ag2 Ag 0.89729 0.50000 0.18019 1.00000
  Ag3 Ag 0.30212 0.50000 0.51784 1.00000
  Ag4 Ag 0.43685 0.50000 0.28984 1.00000
  Ag5 Ag 0.68483 0.00000 0.99964 1.00000
  Ag6 Ag 0.61350 0.00000 0.24755 1.00000
  Ag7 Ag 0.31733 0.00000 0.70791 1.00000
  Ag8 Ag 0.04048 0.00000 0.37564 1.00000
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