Y3Er9(CoBi2)2

Alexandria ALEX

Alex-ID: agm016575879 · Space group: Pm (#6)

Alexandria Database API

Basic Information

Formula

Y3Er9(CoBi2)2

Alex-ID

agm016575879

Elements

Sites

Space group

Pm (#6)

Crystal system

monoclinic

Volume

492.91

Å³

Cell a

8.3294

Cell b

4.0735

Cell c

14.5274

α angle

90.00

β angle

90.07

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Y3Er9(CoBi2)2

3.00 · 16.7%

9.00 · 50.0%

2.00 · 11.1%

4.00 · 22.2%

Energy & Stability

Energy above hull

0.0424

eV/atom

Formation energy

-0.4556

eV/atom

Corrected total energy

-98.4264

Raw total energy

-98.4264

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0005

DOS at Fermi level

20.1451

Total magnetisation

0.2689

μB

Additional Information

Prototype ID

A2B3C4D9_9_spg6

Decomposition

Er5CoBi2 Er3Co Y5Bi3 Er

Computed at

2025-02-07 02:24:32

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: agm016575879).

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 agm016575879
data_agm016575879
_cell_length_a     8.32935
_cell_length_b     4.07349
_cell_length_c     14.52743
_cell_angle_alpha  90.00000
_cell_angle_beta   90.07023
_cell_angle_gamma  90.00000
_cell_volume       492.90836
_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
  Y1 Y 0.26623 0.50000 0.50189 1.00000
  Y2 Y 0.76706 0.50000 0.99825 1.00000
  Y3 Y 0.60812 0.50000 0.61396 1.00000
  Er1 Er 0.12285 0.50000 0.11949 1.00000
  Er2 Er 0.10738 0.50000 0.88759 1.00000
  Er3 Er 0.62297 0.50000 0.38024 1.00000
  Er4 Er 0.88691 0.00000 0.50005 1.00000
  Er5 Er 0.38517 0.00000 0.99965 1.00000
  Er6 Er 0.79468 0.00000 0.79862 1.00000
  Er7 Er 0.31390 0.00000 0.30798 1.00000
  Er8 Er 0.29254 0.00000 0.70356 1.00000
  Er9 Er 0.81346 0.00000 0.19182 1.00000
  Co1 Co 0.01195 0.00000 0.01444 1.00000
  Co2 Co 0.50770 0.00000 0.48198 1.00000
  Bi1 Bi 0.99430 0.50000 0.66746 1.00000
  Bi2 Bi 0.50547 0.50000 0.16564 1.00000
  Bi3 Bi 0.49415 0.50000 0.83354 1.00000
  Bi4 Bi 0.00537 0.50000 0.33384 1.00000

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