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La2Ho2TmCo2

Alexandria ALEX

Alex-ID: agm024276680 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
La2Ho2TmCo2
Alex-ID
agm024276680
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
182.53
ų
Cell a
6.3596
Å
Cell b
6.3596
Å
Cell c
9.0648
Å
α angle
65.65
°
β angle
114.35
°
γ angle
146.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Ho2TmCo2
La
2.00 · 28.6%
Ho
2.00 · 28.6%
Tm
1.00 · 14.3%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0150
eV/atom
Formation energy
-0.1538
eV/atom
Corrected total energy
-38.8075
eV
Raw total energy
-38.8075
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.8624
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_13_spg12

Decomposition

Tm7Co3 La4Co Ho5Co2 TmCo

Computed at

2025-04-17 23:49:28

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: agm024276680).

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 agm024276680
data_agm024276680
_cell_length_a     6.35962
_cell_length_b     6.35962
_cell_length_c     9.06477
_cell_angle_alpha  65.64949
_cell_angle_beta   114.35051
_cell_angle_gamma  146.52139
_cell_volume       182.53223
_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 0.67334 0.32666 0.29941 1.00000
  La2 La 0.32666 0.67334 0.70059 1.00000
  Ho1 Ho 0.11966 0.88034 0.91841 1.00000
  Ho2 Ho 0.88034 0.11966 0.08159 1.00000
  Tm1 Tm 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.68032 0.31968 0.74283 1.00000
  Co2 Co 0.31968 0.68032 0.25717 1.00000
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