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LaHo(Co3B2)2

Alexandria ALEX

Alex-ID: agm022014008 · Space group: Pmmm (#47)

Alexandria Database API

Basic Information

Formula
LaHo(Co3B2)2
Alex-ID
agm022014008
Elements
4
Sites
12
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
133.95
ų
Cell a
3.0133
Å
Cell b
5.0644
Å
Cell c
8.7772
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaHo(Co3B2)2
La
1.00 · 8.3%
Ho
1.00 · 8.3%
Co
6.00 · 50.0%
B
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0244
eV/atom
Formation energy
-0.4206
eV/atom
Corrected total energy
-84.0058
eV
Raw total energy
-84.0058
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
7.6520
Total magnetisation
0.1966
μB

Additional Information

Prototype ID

ABC4D6_60_spg47

Decomposition

La(CoB)2 HoCo3B2 Co

Computed at

2024-09-25 14:55:50.711332

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: agm022014008).

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 agm022014008
data_agm022014008
_cell_length_a     3.01328
_cell_length_b     5.06444
_cell_length_c     8.77723
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       133.94546
_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
  La1 La 0.50000 0.00000 0.00000 1.00000
  Ho1 Ho 0.50000 0.50000 0.50000 1.00000
  Co1 Co 0.00000 0.00000 0.50000 1.00000
  Co2 Co 0.00000 0.50000 0.00000 1.00000
  Co3 Co 0.00000 0.25356 0.25661 1.00000
  Co4 Co 0.00000 0.74644 0.74339 1.00000
  Co5 Co 0.00000 0.74644 0.25661 1.00000
  Co6 Co 0.00000 0.25356 0.74339 1.00000
  B1 B 0.50000 0.00000 0.33658 1.00000
  B2 B 0.50000 0.50000 0.82961 1.00000
  B3 B 0.50000 0.50000 0.17039 1.00000
  B4 B 0.50000 0.00000 0.66342 1.00000
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