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Ho2VSnO7

Alexandria ALEX

Alex-ID: agm021662841 · Space group: Imma (#74)

Alexandria Database API

Basic Information

Formula
Ho2VSnO7
Alex-ID
agm021662841
Elements
4
Sites
22
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
271.80
ų
Cell a
7.2716
Å
Cell b
7.2716
Å
Cell c
7.2716
Å
α angle
120.03
°
β angle
120.00
°
γ angle
89.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2VSnO7
Ho
4.00 · 18.2%
V
2.00 · 9.1%
Sn
2.00 · 9.1%
O
14.00 · 63.6%

Energy & Stability

Energy above hull
0.0084
eV/atom
Formation energy
-3.1340
eV/atom
Corrected total energy
-182.9200
eV
Raw total energy
-169.7239
eV

Electronic Structure

Indirect band gap
1.8135
eV
Direct band gap
1.9269
eV
DOS at Fermi level
0.0000
Total magnetisation
2.0000
μB

Additional Information

Prototype ID

ABC2D7_42_spg74

Decomposition

Ho2Sn2O7 HoVO4 HoVO3

Computed at

2025-03-06 20:27:59

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: agm021662841).

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 agm021662841
data_agm021662841
_cell_length_a     7.27158
_cell_length_b     7.27158
_cell_length_c     7.27158
_cell_angle_alpha  120.03103
_cell_angle_beta   120.00424
_cell_angle_gamma  89.96947
_cell_volume       271.80351
_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 0.00000 0.50000 0.50000 1.00000
  Ho2 Ho 0.50000 0.50000 0.00000 1.00000
  Ho3 Ho 0.50000 0.00000 0.00000 1.00000
  Ho4 Ho 0.50000 0.50000 0.50000 1.00000
  V1 V 0.00000 0.50000 0.00000 1.00000
  V2 V 0.00000 0.00000 0.50000 1.00000
  Sn1 Sn 0.50000 0.00000 0.50000 1.00000
  Sn2 Sn 0.00000 0.00000 0.00000 1.00000
  O1 O 0.92806 0.67806 0.25000 1.00000
  O2 O 0.34627 0.09627 0.25000 1.00000
  O3 O 0.91904 0.09209 0.26338 1.00000
  O4 O 0.32871 0.65566 0.23662 1.00000
  O5 O 0.32871 0.09209 0.67305 1.00000
  O6 O 0.91904 0.65566 0.82695 1.00000
  O7 O 0.07194 0.32194 0.75000 1.00000
  O8 O 0.65373 0.90373 0.75000 1.00000
  O9 O 0.08096 0.90791 0.73662 1.00000
  O10 O 0.67129 0.34434 0.76338 1.00000
  O11 O 0.67129 0.90791 0.32695 1.00000
  O12 O 0.08096 0.34434 0.17305 1.00000
  O13 O 0.37309 0.62309 0.75000 1.00000
  O14 O 0.62691 0.37691 0.25000 1.00000
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