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Lu3In2Co

Alexandria ALEX

Alex-ID: agm094816014 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
Lu3In2Co
Alex-ID
agm094816014
Elements
3
Sites
6
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
135.94
ų
Cell a
3.4137
Å
Cell b
3.4137
Å
Cell c
11.6657
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Lu3In2Co
Lu
3.00 · 50.0%
In
2.00 · 33.3%
Co
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0097
eV/atom
Formation energy
-0.3606
eV/atom
Corrected total energy
-28.3898
eV
Raw total energy
-28.3898
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.7473
Total magnetisation
0.8863
μB

Additional Information

Prototype ID

AB2C3_581_spg123

Decomposition

Lu8In3Co Lu5In4 Lu2InCo2

Computed at

2025-04-13 21:43:46

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: agm094816014).

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 agm094816014
data_agm094816014
_cell_length_a     3.41366
_cell_length_b     3.41366
_cell_length_c     11.66572
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       135.94122
_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
  Lu1 Lu 0.00000 0.00000 0.36574 1.00000
  Lu2 Lu 0.00000 0.00000 0.63426 1.00000
  Lu3 Lu 0.00000 0.00000 0.00000 1.00000
  In1 In 0.50000 0.50000 0.18011 1.00000
  In2 In 0.50000 0.50000 0.81989 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
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