Mg3(Co10B3)2

Alexandria ALEX

Alex-ID: agm008350004 · Space group: Fm-3m (#225)

Alexandria Database API

Basic Information

Formula

Mg3(Co10B3)2

Alex-ID

agm008350004

Elements

Sites

Space group

Fm-3m (#225)

Crystal system

cubic

Volume

293.85

Å³

Cell a

7.4624

Cell b

7.4624

Cell c

7.4624

α angle

60.00

β angle

60.00

γ angle

60.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Mg3(Co10B3)2

3.00 · 10.3%

20.00 · 69.0%

6.00 · 20.7%

Energy & Stability

Energy above hull

0.0200

eV/atom

Formation energy

-0.1511

eV/atom

Corrected total energy

-191.7056

Raw total energy

-191.7056

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

37.4140

Total magnetisation

20.6489

μB

Additional Information

Prototype ID

A3B6C20_0_spg225

Decomposition

MgCo2 CoB Co

Computed at

2024-11-09 11:31:03.744923

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: agm008350004).

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 agm008350004
data_agm008350004
_cell_length_a     7.46239
_cell_length_b     7.46239
_cell_length_c     7.46239
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       293.84572
_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
  Mg1 Mg 0.00000 0.00000 0.00000 1.00000
  Mg2 Mg 0.25000 0.25000 0.25000 1.00000
  Mg3 Mg 0.75000 0.75000 0.75000 1.00000
  Co1 Co 0.84376 0.38541 0.38541 1.00000
  Co2 Co 0.38541 0.38541 0.38541 1.00000
  Co3 Co 0.38541 0.84376 0.38541 1.00000
  Co4 Co 0.38541 0.38541 0.84376 1.00000
  Co5 Co 0.15624 0.61459 0.61459 1.00000
  Co6 Co 0.61459 0.61459 0.61459 1.00000
  Co7 Co 0.61459 0.15624 0.61459 1.00000
  Co8 Co 0.61459 0.61459 0.15624 1.00000
  Co9 Co 0.65668 0.00000 0.34332 1.00000
  Co10 Co 0.65668 0.34332 0.00000 1.00000
  Co11 Co 0.65668 0.00000 0.00000 1.00000
  Co12 Co 0.00000 0.34332 0.00000 1.00000
  Co13 Co 0.00000 0.00000 0.34332 1.00000
  Co14 Co 0.34332 0.00000 0.00000 1.00000
  Co15 Co 0.00000 0.65668 0.00000 1.00000
  Co16 Co 0.34332 0.65668 0.00000 1.00000
  Co17 Co 0.00000 0.65668 0.34332 1.00000
  Co18 Co 0.34332 0.00000 0.65668 1.00000
  Co19 Co 0.00000 0.00000 0.65668 1.00000
  Co20 Co 0.00000 0.34332 0.65668 1.00000
  B1 B 0.72675 0.27325 0.72675 1.00000
  B2 B 0.72675 0.72675 0.27325 1.00000
  B3 B 0.72675 0.27325 0.27325 1.00000
  B4 B 0.27325 0.72675 0.27325 1.00000
  B5 B 0.27325 0.27325 0.72675 1.00000
  B6 B 0.27325 0.72675 0.72675 1.00000

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