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EuC2

Alexandria ALEX

Alex-ID: agm002201852 · Space group: C2/m (#12)

Basic Information

Formula
EuC2
Alex-ID
agm002201852
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
104.34
ų
Cell a
3.9493
Å
Cell b
4.2005
Å
Cell c
7.4780
Å
α angle
105.50
°
β angle
90.00
°
γ angle
118.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuC2
Eu
2.00 · 33.3%
C
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0373
eV/atom
Formation energy
-0.0096
eV/atom
Corrected total energy
-57.5022
eV
Raw total energy
-57.5022
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0498
eV
DOS at Fermi level
19.3314
Total magnetisation
13.8538
μB

Additional Information

Prototype ID

AB2_341_spg15

Decomposition

EuC6 Eu

Computed at

2023-03-24 18:05:39.054221

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: agm002201852).

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 agm002201852
data_agm002201852
_cell_length_a     3.94925
_cell_length_b     4.20046
_cell_length_c     7.47799
_cell_angle_alpha  105.49797
_cell_angle_beta   89.99815
_cell_angle_gamma  118.04896
_cell_volume       104.34203
_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 0.79548 0.59102 0.75574 1.00000
  Eu2 Eu 0.20452 0.40898 0.24426 1.00000
  C1 C 0.07976 0.15971 0.56289 1.00000
  C2 C 0.92024 0.84029 0.43711 1.00000
  C3 C 0.45005 0.90003 0.05592 1.00000
  C4 C 0.54995 0.09997 0.94408 1.00000
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