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La2Ho7Co3

Alexandria ALEX

Alex-ID: agm101414992 · Space group: P1 (#1)

Basic Information

Formula
La2Ho7Co3
Alex-ID
agm101414992
Elements
3
Sites
12
Space group
P1 (#1)
Crystal system
triclinic
Volume
322.16
ų
Cell a
6.3466
Å
Cell b
5.5490
Å
Cell c
10.6519
Å
α angle
80.12
°
β angle
73.60
°
γ angle
63.70
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Ho7Co3
La
2.00 · 16.7%
Ho
7.00 · 58.3%
Co
3.00 · 25.0%

Energy & Stability

Energy above hull
0.0723
eV/atom
Formation energy
-0.0884
eV/atom
Corrected total energy
-64.3363
eV
Raw total energy
-64.3362
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0449
eV
DOS at Fermi level
11.8262
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_779_spg1

Decomposition

Ho3Co La4Co Ho5Co2

Computed at

2025-05-18 18:00:07

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: agm101414992).

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 agm101414992
data_agm101414992
_cell_length_a     6.34659
_cell_length_b     5.54899
_cell_length_c     10.65190
_cell_angle_alpha  80.12270
_cell_angle_beta   73.60471
_cell_angle_gamma  63.70141
_cell_volume       322.15607
_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 0.51554 0.81930 0.02481 1.00000
  La2 La 0.29560 0.47900 0.87471 1.00000
  Ho1 Ho 0.70541 0.37655 0.53122 1.00000
  Ho2 Ho 0.60900 0.19468 0.26131 1.00000
  Ho3 Ho 0.01428 0.52986 0.21082 1.00000
  Ho4 Ho 0.21829 0.87958 0.36252 1.00000
  Ho5 Ho 0.90127 0.16248 0.91013 1.00000
  Ho6 Ho 0.33243 0.05424 0.62091 1.00000
  Ho7 Ho 0.90472 0.72855 0.68142 1.00000
  Co1 Co 0.07730 0.02446 0.12609 1.00000
  Co2 Co 0.78133 0.84865 0.45800 1.00000
  Co3 Co 0.14484 0.40265 0.43805 1.00000
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