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EuHoSi2O7

Alexandria ALEX

Alex-ID: agm002302000 · Space group: C2 (#5)

Basic Information

Formula
EuHoSi2O7
Alex-ID
agm002302000
Elements
4
Sites
11
Space group
C2 (#5)
Crystal system
monoclinic
Volume
150.57
ų
Cell a
4.7894
Å
Cell b
5.7678
Å
Cell c
5.7678
Å
α angle
105.19
°
β angle
97.07
°
γ angle
97.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuHoSi2O7
Eu
1.00 · 9.1%
Si
2.00 · 18.2%
Ho
1.00 · 9.1%
O
7.00 · 63.6%

Energy & Stability

Energy above hull
0.0176
eV/atom
Formation energy
-3.4756
eV/atom
Corrected total energy
-98.6381
eV
Raw total energy
-93.7221
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
7.0069
Total magnetisation
6.0000
μB

Additional Information

Prototype ID

ABC2D7_0_spg5

Decomposition

Eu5Si3O13 EuO4 Si6O13 Ho2Si2O7

Computed at

2018-12-24 03:40:18

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: agm002302000).

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 agm002302000
data_agm002302000
_cell_length_a     4.78935
_cell_length_b     5.76775
_cell_length_c     5.76775
_cell_angle_alpha  105.19390
_cell_angle_beta   97.06638
_cell_angle_gamma  97.06638
_cell_volume       150.57150
_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
  Eu1 Eu 0.50000 0.30508 0.69492 1.00000
  Si1 Si 0.91231 0.21866 0.21068 1.00000
  Si2 Si 0.08769 0.78932 0.78134 1.00000
  Ho1 Ho 0.50000 0.69305 0.30695 1.00000
  O1 O 0.72146 0.39534 0.09919 1.00000
  O2 O 0.27854 0.90081 0.60466 1.00000
  O3 O 0.72754 0.07263 0.36552 1.00000
  O4 O 0.27246 0.63448 0.92737 1.00000
  O5 O 0.00000 0.02599 0.97401 1.00000
  O6 O 0.78706 0.62585 0.62182 1.00000
  O7 O 0.21294 0.37818 0.37415 1.00000
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