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HEAS Data Platform · Materials Science Database

La12TbCo7

Alexandria ALEX

Alex-ID: agm005808940 · Space group: R-3 (#148)

Alexandria Database API

Basic Information

Formula
La12TbCo7
Alex-ID
agm005808940
Elements
3
Sites
20
Space group
R-3 (#148)
Crystal system
trigonal
Volume
579.23
ų
Cell a
8.8900
Å
Cell b
8.8900
Å
Cell c
8.8900
Å
α angle
107.36
°
β angle
107.36
°
γ angle
107.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La12TbCo7
La
12.00 · 60.0%
Tb
1.00 · 5.0%
Co
7.00 · 35.0%

Energy & Stability

Energy above hull
0.0349
eV/atom
Formation energy
-0.0908
eV/atom
Corrected total energy
-115.4447
eV
Raw total energy
-115.4447
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
17.2272
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7C12_72_spg148

Decomposition

La7Co3 LaTbCo4 Tb2Co3

Computed at

2023-07-15 19:02:59.903987

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: agm005808940).

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 agm005808940
data_agm005808940
_cell_length_a     8.89002
_cell_length_b     8.89002
_cell_length_c     8.89002
_cell_angle_alpha  107.36333
_cell_angle_beta   107.36335
_cell_angle_gamma  107.36334
_cell_volume       579.23435
_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 0.92428 0.31515 0.77922 1.00000
  La2 La 0.68485 0.22078 0.07572 1.00000
  La3 La 0.44884 0.15549 0.37441 1.00000
  La4 La 0.84451 0.62559 0.55116 1.00000
  La5 La 0.22078 0.07572 0.68485 1.00000
  La6 La 0.62559 0.55116 0.84451 1.00000
  La7 La 0.37441 0.44884 0.15549 1.00000
  La8 La 0.77922 0.92428 0.31515 1.00000
  La9 La 0.15549 0.37441 0.44884 1.00000
  La10 La 0.55116 0.84451 0.62559 1.00000
  La11 La 0.31515 0.77922 0.92428 1.00000
  La12 La 0.07572 0.68485 0.22078 1.00000
  Tb1 Tb 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.97791 0.64444 0.87515 1.00000
  Co2 Co 0.35556 0.12485 0.02209 1.00000
  Co3 Co 0.12485 0.02209 0.35556 1.00000
  Co4 Co 0.50000 0.50000 0.50000 1.00000
  Co5 Co 0.87515 0.97791 0.64444 1.00000
  Co6 Co 0.64444 0.87515 0.97791 1.00000
  Co7 Co 0.02209 0.35556 0.12485 1.00000
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