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LaTm11

Alexandria ALEX

Alex-ID: agm015257544 · Space group: P2/m (#10)

Basic Information

Formula
LaTm11
Alex-ID
agm015257544
Elements
2
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
367.02
ų
Cell a
8.7058
Å
Cell b
3.5434
Å
Cell c
12.2420
Å
α angle
90.00
°
β angle
103.62
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaTm11
La
1.00 · 8.3%
Tm
11.00 · 91.7%

Energy & Stability

Energy above hull
0.0051
eV/atom
Formation energy
0.0033
eV/atom
Corrected total energy
-54.0739
eV
Raw total energy
-54.0739
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0077
eV
DOS at Fermi level
17.3753
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB11_167_spg10

Decomposition

LaTm2 Tm

Computed at

2025-02-27 10:56:20

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: agm015257544).

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 agm015257544
data_agm015257544
_cell_length_a     8.70578
_cell_length_b     3.54340
_cell_length_c     12.24202
_cell_angle_alpha  90.00000
_cell_angle_beta   103.62311
_cell_angle_gamma  90.00000
_cell_volume       367.01776
_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 0.50000 0.00000 0.00000 1.00000
  Tm1 Tm 0.83806 0.50000 0.14092 1.00000
  Tm2 Tm 0.83616 0.00000 0.88786 1.00000
  Tm3 Tm 0.16194 0.50000 0.85908 1.00000
  Tm4 Tm 0.16461 0.00000 0.61006 1.00000
  Tm5 Tm 0.50034 0.50000 0.74608 1.00000
  Tm6 Tm 0.50000 0.00000 0.50000 1.00000
  Tm7 Tm 0.49966 0.50000 0.25392 1.00000
  Tm8 Tm 0.83470 0.50000 0.63786 1.00000
  Tm9 Tm 0.16384 0.00000 0.11214 1.00000
  Tm10 Tm 0.83539 0.00000 0.38994 1.00000
  Tm11 Tm 0.16530 0.50000 0.36214 1.00000
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