Navigation

HEAS Data Platform · Materials Science Database

YbCo3B

Alexandria ALEX

Alex-ID: agm002255208 · Space group: Pm-3m (#221)

Alexandria Database API

Basic Information

Formula
YbCo3B
Alex-ID
agm002255208
Elements
3
Sites
5
Space group
Pm-3m (#221)
Crystal system
cubic
Volume
60.62
ų
Cell a
3.9282
Å
Cell b
3.9282
Å
Cell c
3.9282
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YbCo3B
B
1.00 · 20.0%
Yb
1.00 · 20.0%
Co
3.00 · 60.0%

Energy & Stability

Energy above hull
0.1386
eV/atom
Formation energy
-0.1211
eV/atom
Corrected total energy
-30.1803
eV
Raw total energy
-30.1803
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.5760
Total magnetisation
1.8554
μB

Additional Information

Prototype ID

ABC3_0_spg221

Decomposition

Yb2Co17 Yb2Co5B4 YbCo2

Computed at

2018-08-26 14:52:08

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: agm002255208).

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 agm002255208
data_agm002255208
_cell_length_a     3.92822
_cell_length_b     3.92822
_cell_length_c     3.92822
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       60.61590
_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
  B1 B 0.50000 0.50000 0.50000 1.00000
  Yb1 Yb 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.00000 0.50000 0.50000 1.00000
  Co2 Co 0.50000 0.00000 0.50000 1.00000
  Co3 Co 0.50000 0.50000 0.00000 1.00000
Get direct link