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EuCd9Hg2

Alexandria ALEX

Alex-ID: agm101570710 · Space group: P6/mmm (#191)

Basic Information

Formula
EuCd9Hg2
Alex-ID
agm101570710
Elements
3
Sites
12
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
288.64
ų
Cell a
9.9243
Å
Cell b
9.9243
Å
Cell c
3.3784
Å
α angle
90.00
°
β angle
90.00
°
γ angle
119.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuCd9Hg2
Eu
1.00 · 8.3%
Cd
9.00 · 75.0%
Hg
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0777
eV/atom
Formation energy
-0.0616
eV/atom
Corrected total energy
-20.0477
eV
Raw total energy
-20.0477
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0023
eV
DOS at Fermi level
4.0375
Total magnetisation
7.0747
μB

Additional Information

Prototype ID

AB2C9_251_spg65

Decomposition

EuCd11 EuHg3 Hg

Computed at

2025-05-19 06:52:24

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: agm101570710).

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 agm101570710
data_agm101570710
_cell_length_a     9.92434
_cell_length_b     9.92434
_cell_length_c     3.37845
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.83972
_cell_volume       288.63576
_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 0.50000 0.50000 1.00000
  Cd1 Cd 0.67686 0.32314 0.00000 1.00000
  Cd2 Cd 0.50000 0.00000 0.50000 1.00000
  Cd3 Cd 0.00000 0.00000 0.50000 1.00000
  Cd4 Cd 0.67661 0.85358 0.00000 1.00000
  Cd5 Cd 0.32314 0.67686 0.00000 1.00000
  Cd6 Cd 0.85358 0.67661 0.00000 1.00000
  Cd7 Cd 0.32339 0.14642 0.00000 1.00000
  Cd8 Cd 0.00000 0.50000 0.50000 1.00000
  Cd9 Cd 0.14642 0.32339 0.00000 1.00000
  Hg1 Hg 0.83322 0.16678 0.50000 1.00000
  Hg2 Hg 0.16678 0.83322 0.50000 1.00000
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