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Sr3(Ho4Co)2

Alexandria ALEX

Alex-ID: agm011814636 · Space group: P-1 (#2)

Basic Information

Formula
Sr3(Ho4Co)2
Alex-ID
agm011814636
Elements
3
Sites
13
Space group
P-1 (#2)
Crystal system
triclinic
Volume
420.77
ų
Cell a
6.8421
Å
Cell b
7.4125
Å
Cell c
9.2009
Å
α angle
110.70
°
β angle
97.46
°
γ angle
99.87
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3(Ho4Co)2
Sr
3.00 · 23.1%
Ho
8.00 · 61.5%
Co
2.00 · 15.4%

Energy & Stability

Energy above hull
0.2112
eV/atom
Formation energy
0.1067
eV/atom
Corrected total energy
-54.5573
eV
Raw total energy
-54.5573
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0060
eV
DOS at Fermi level
16.1198
Total magnetisation
0.0006
μB

Additional Information

Prototype ID

A2B3C8_531_spg2

Decomposition

Ho3Co Sr Ho

Computed at

2024-07-08 13:15:06.296371

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: agm011814636).

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 agm011814636
data_agm011814636
_cell_length_a     6.84211
_cell_length_b     7.41255
_cell_length_c     9.20090
_cell_angle_alpha  110.70285
_cell_angle_beta   97.45652
_cell_angle_gamma  99.87395
_cell_volume       420.76936
_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 0.00000 0.00000 0.50000 1.00000
  Sr2 Sr 0.13503 0.26152 0.23609 1.00000
  Sr3 Sr 0.86497 0.73848 0.76391 1.00000
  Ho1 Ho 0.43208 0.77026 0.48935 1.00000
  Ho2 Ho 0.56792 0.22974 0.51065 1.00000
  Ho3 Ho 0.89676 0.28310 0.86370 1.00000
  Ho4 Ho 0.10324 0.71690 0.13630 1.00000
  Ho5 Ho 0.67214 0.46705 0.22943 1.00000
  Ho6 Ho 0.40717 0.13130 0.86909 1.00000
  Ho7 Ho 0.59283 0.86870 0.13091 1.00000
  Ho8 Ho 0.32786 0.53295 0.77057 1.00000
  Co1 Co 0.68828 0.53545 0.96770 1.00000
  Co2 Co 0.31172 0.46455 0.03230 1.00000
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