Er6Cd8Ni15

Alexandria ALEX

Alex-ID: agm009672265 · Space group: Fm-3m (#225)

Alexandria Database API

Basic Information

Formula

Er6Cd8Ni15

Alex-ID

agm009672265

Elements

Sites

Space group

Fm-3m (#225)

Crystal system

cubic

Volume

479.72

Å³

Cell a

8.7869

Cell b

8.7869

Cell c

8.7869

α angle

60.00

β angle

60.00

γ angle

60.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Er6Cd8Ni15

6.00 · 20.7%

8.00 · 27.6%

15.00 · 51.7%

Energy & Stability

Energy above hull

0.1343

eV/atom

Formation energy

-0.2308

eV/atom

Corrected total energy

-128.2157

Raw total energy

-128.2157

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

22.5807

Total magnetisation

-0.0004

μB

Additional Information

Prototype ID

A6B8C15_0_spg225

Decomposition

ErCdNi Er11Cd45 ErCdNi4

Computed at

2024-06-24 11:40:30.233228

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: agm009672265).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm009672265
data_agm009672265
_cell_length_a     8.78688
_cell_length_b     8.78688
_cell_length_c     8.78688
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       479.72180
_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
  Er1 Er 0.69714 0.30286 0.69714 1.00000
  Er2 Er 0.30286 0.69714 0.30286 1.00000
  Er3 Er 0.69714 0.30286 0.30286 1.00000
  Er4 Er 0.30286 0.69714 0.69714 1.00000
  Er5 Er 0.30286 0.30286 0.69714 1.00000
  Er6 Er 0.69714 0.69714 0.30286 1.00000
  Cd1 Cd 0.87636 0.37093 0.87636 1.00000
  Cd2 Cd 0.12364 0.62907 0.12364 1.00000
  Cd3 Cd 0.37093 0.87636 0.87636 1.00000
  Cd4 Cd 0.87636 0.87636 0.37093 1.00000
  Cd5 Cd 0.62907 0.12364 0.12364 1.00000
  Cd6 Cd 0.12364 0.12364 0.62907 1.00000
  Cd7 Cd 0.87636 0.87636 0.87636 1.00000
  Cd8 Cd 0.12364 0.12364 0.12364 1.00000
  Ni1 Ni 0.66933 0.99200 0.66933 1.00000
  Ni2 Ni 0.33067 0.00800 0.33067 1.00000
  Ni3 Ni 0.99200 0.66933 0.66933 1.00000
  Ni4 Ni 0.66933 0.66933 0.99200 1.00000
  Ni5 Ni 0.00800 0.33067 0.33067 1.00000
  Ni6 Ni 0.33067 0.33067 0.00800 1.00000
  Ni7 Ni 0.66933 0.66933 0.66933 1.00000
  Ni8 Ni 0.33067 0.33067 0.33067 1.00000
  Ni9 Ni 0.00000 0.50000 0.00000 1.00000
  Ni10 Ni 0.50000 0.00000 0.50000 1.00000
  Ni11 Ni 0.00000 0.50000 0.50000 1.00000
  Ni12 Ni 0.50000 0.00000 0.00000 1.00000
  Ni13 Ni 0.50000 0.50000 0.00000 1.00000
  Ni14 Ni 0.00000 0.00000 0.50000 1.00000
  Ni15 Ni 0.00000 0.00000 0.00000 1.00000

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