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La2Tm8Al

Alexandria ALEX

Alex-ID: agm003533978 · Space group: C2/m (#12)

Basic Information

Formula
La2Tm8Al
Alex-ID
agm003533978
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
333.54
ų
Cell a
5.3424
Å
Cell b
6.7256
Å
Cell c
9.6815
Å
α angle
93.87
°
β angle
106.02
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Tm8Al
La
2.00 · 18.2%
Tm
8.00 · 72.7%
Al
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0696
eV/atom
Formation energy
-0.0155
eV/atom
Corrected total energy
-49.5430
eV
Raw total energy
-49.5430
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.7186
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_296_spg12

Decomposition

Tm2Al LaTm2 Tm

Computed at

2022-03-13 16:47:38.339133

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: agm003533978).

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 agm003533978
data_agm003533978
_cell_length_a     5.34239
_cell_length_b     6.72560
_cell_length_c     9.68150
_cell_angle_alpha  93.86917
_cell_angle_beta   106.01608
_cell_angle_gamma  90.00000
_cell_volume       333.53637
_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 0.77840 0.33387 0.55680 1.00000
  La2 La 0.22160 0.66613 0.44320 1.00000
  Tm1 Tm 0.41384 0.58921 0.82769 1.00000
  Tm2 Tm 0.65357 0.90342 0.30714 1.00000
  Tm3 Tm 0.84321 0.83092 0.68642 1.00000
  Tm4 Tm 0.96607 0.24235 0.93214 1.00000
  Tm5 Tm 0.15679 0.16908 0.31358 1.00000
  Tm6 Tm 0.34643 0.09658 0.69286 1.00000
  Tm7 Tm 0.58616 0.41079 0.17231 1.00000
  Tm8 Tm 0.03393 0.75765 0.06786 1.00000
  Al1 Al 0.50000 0.00000 0.00000 1.00000
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