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Sr(Ho2Co)2

Alexandria ALEX

Alex-ID: agm095967758 · Space group: Pm (#6)

Basic Information

Formula
Sr(Ho2Co)2
Alex-ID
agm095967758
Elements
3
Sites
7
Space group
Pm (#6)
Crystal system
monoclinic
Volume
191.77
ų
Cell a
3.8610
Å
Cell b
5.3841
Å
Cell c
9.4413
Å
α angle
102.30
°
β angle
90.19
°
γ angle
89.71
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr(Ho2Co)2
Sr
1.00 · 14.3%
Ho
4.00 · 57.1%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.2400
eV/atom
Formation energy
0.0743
eV/atom
Corrected total energy
-33.7309
eV
Raw total energy
-33.7309
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0228
eV
DOS at Fermi level
7.4040
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_1116_spg12

Decomposition

Ho5Co2 Sr HoCo

Computed at

2025-04-10 16:49:04

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: agm095967758).

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 agm095967758
data_agm095967758
_cell_length_a     3.86103
_cell_length_b     5.38415
_cell_length_c     9.44133
_cell_angle_alpha  102.29507
_cell_angle_beta   90.19475
_cell_angle_gamma  89.70973
_cell_volume       191.76528
_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
  Sr1 Sr 0.71660 0.94884 0.96265 1.00000
  Ho1 Ho 0.21640 0.35985 0.75999 1.00000
  Ho2 Ho 0.21273 0.17969 0.35972 1.00000
  Ho3 Ho 0.71976 0.78948 0.57190 1.00000
  Ho4 Ho 0.70886 0.58574 0.21275 1.00000
  Co1 Co 0.21123 0.35174 0.07236 1.00000
  Co2 Co 0.71442 0.28467 0.56064 1.00000
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