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CeV7

Alexandria ALEX

Alex-ID: agm007897488 · Space group: R-3m (#166)

Basic Information

Formula
CeV7
Alex-ID
agm007897488
Elements
2
Sites
16
Space group
R-3m (#166)
Crystal system
trigonal
Volume
232.13
ų
Cell a
6.1467
Å
Cell b
6.1467
Å
Cell c
6.1467
Å
α angle
88.98
°
β angle
88.98
°
γ angle
88.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeV7
Ce
2.00 · 12.5%
V
14.00 · 87.5%

Energy & Stability

Energy above hull
0.1661
eV/atom
Formation energy
0.1661
eV/atom
Corrected total energy
-136.8709
eV
Raw total energy
-136.8709
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
27.9972
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7_17_spg166

Decomposition

V Ce

Computed at

2024-10-22 04:18:38.503096

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: agm007897488).

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 agm007897488
data_agm007897488
_cell_length_a     6.14672
_cell_length_b     6.14672
_cell_length_c     6.14672
_cell_angle_alpha  88.97882
_cell_angle_beta   88.97882
_cell_angle_gamma  88.97882
_cell_volume       232.12668
_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
  Ce1 Ce 0.12652 0.12652 0.12652 1.00000
  Ce2 Ce 0.87348 0.87348 0.87348 1.00000
  V1 V 0.38651 0.38651 0.38651 1.00000
  V2 V 0.38015 0.38015 0.87095 1.00000
  V3 V 0.87095 0.38015 0.38015 1.00000
  V4 V 0.86813 0.38084 0.86813 1.00000
  V5 V 0.13187 0.13187 0.61916 1.00000
  V6 V 0.61916 0.13187 0.13187 1.00000
  V7 V 0.61985 0.12905 0.61985 1.00000
  V8 V 0.38015 0.87095 0.38015 1.00000
  V9 V 0.38084 0.86813 0.86813 1.00000
  V10 V 0.86813 0.86813 0.38084 1.00000
  V11 V 0.13187 0.61916 0.13187 1.00000
  V12 V 0.12905 0.61985 0.61985 1.00000
  V13 V 0.61985 0.61985 0.12905 1.00000
  V14 V 0.61349 0.61349 0.61349 1.00000
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