Navigation

HEAS Data Platform · Materials Science Database

La7Tm

Alexandria ALEX

Alex-ID: agm015463564 · Space group: Fmmm (#69)

Basic Information

Formula
La7Tm
Alex-ID
agm015463564
Elements
2
Sites
8
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
285.62
ų
Cell a
9.0654
Å
Cell b
8.2626
Å
Cell c
6.4068
Å
α angle
75.15
°
β angle
61.76
°
γ angle
43.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La7Tm
La
7.00 · 87.5%
Tm
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0163
eV/atom
Formation energy
0.0138
eV/atom
Corrected total energy
-38.8535
eV
Raw total energy
-38.8535
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0021
eV
DOS at Fermi level
15.6664
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7_3_spg69

Decomposition

La7Tm

Computed at

2025-02-24 19:18:52

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: agm015463564).

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 agm015463564
data_agm015463564
_cell_length_a     9.06538
_cell_length_b     8.26255
_cell_length_c     6.40683
_cell_angle_alpha  75.14894
_cell_angle_beta   61.76251
_cell_angle_gamma  43.08854
_cell_volume       285.62303
_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 0.12290 0.12290 0.37710 1.00000
  La2 La 0.37710 0.37710 0.12290 1.00000
  La3 La 0.74783 0.74783 0.25217 1.00000
  La4 La 0.62290 0.62290 0.87710 1.00000
  La5 La 0.87710 0.87710 0.62290 1.00000
  La6 La 0.25217 0.25217 0.74783 1.00000
  La7 La 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Get direct link