Ho11(Co2Sn3)2

Alexandria ALEX

Alex-ID: agm008577650 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula

Ho11(Co2Sn3)2

Alex-ID

agm008577650

Elements

Sites

Space group

C2/m (#12)

Crystal system

monoclinic

Volume

524.17

Å³

Cell a

9.3325

Cell b

9.3325

Cell c

13.9939

α angle

74.23

β angle

105.77

γ angle

153.39

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Ho11(Co2Sn3)2

11.00 · 52.4%

4.00 · 19.0%

6.00 · 28.6%

Energy & Stability

Energy above hull

0.0277

eV/atom

Formation energy

-0.5553

eV/atom

Corrected total energy

-114.5368

Raw total energy

-114.5368

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0033

DOS at Fermi level

15.8983

Total magnetisation

2.6577

μB

Additional Information

Prototype ID

A4B6C11_1_spg12

Decomposition

Ho2Co17 HoCo3 Ho5Sn3

Computed at

2025-03-02 09:42:58

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: agm008577650).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008577650
data_agm008577650
_cell_length_a     9.33246
_cell_length_b     9.33246
_cell_length_c     13.99394
_cell_angle_alpha  74.23460
_cell_angle_beta   105.76540
_cell_angle_gamma  153.39207
_cell_volume       524.17264
_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
  Ho1 Ho 0.09150 0.90850 0.28592 1.00000
  Ho2 Ho 0.14444 0.85556 0.85496 1.00000
  Ho3 Ho 0.79032 0.20968 0.39958 1.00000
  Ho4 Ho 0.45124 0.54876 0.37729 1.00000
  Ho5 Ho 0.65563 0.34437 0.08074 1.00000
  Ho6 Ho 0.54876 0.45124 0.62271 1.00000
  Ho7 Ho 0.00000 0.00000 0.00000 1.00000
  Ho8 Ho 0.85556 0.14444 0.14504 1.00000
  Ho9 Ho 0.20968 0.79032 0.60042 1.00000
  Ho10 Ho 0.34437 0.65563 0.91926 1.00000
  Ho11 Ho 0.90850 0.09150 0.71408 1.00000
  Co1 Co 0.24674 0.75326 0.03857 1.00000
  Co2 Co 0.05340 0.94660 0.47726 1.00000
  Co3 Co 0.94660 0.05340 0.52274 1.00000
  Co4 Co 0.75326 0.24674 0.96143 1.00000
  Sn1 Sn 0.36598 0.63402 0.55156 1.00000
  Sn2 Sn 0.74147 0.25853 0.76665 1.00000
  Sn3 Sn 0.25853 0.74147 0.23335 1.00000
  Sn4 Sn 0.63402 0.36598 0.44844 1.00000
  Sn5 Sn 0.48646 0.51354 0.15082 1.00000
  Sn6 Sn 0.51354 0.48646 0.84918 1.00000

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