Navigation

HEAS Data Platform · Materials Science Database

Sr2La2Tm5

Alexandria ALEX

Alex-ID: agm009449258 · Space group: P-1 (#2)

Basic Information

Formula
Sr2La2Tm5
Alex-ID
agm009449258
Elements
3
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
317.37
ų
Cell a
6.3353
Å
Cell b
6.3744
Å
Cell c
8.3249
Å
α angle
73.98
°
β angle
82.78
°
γ angle
80.26
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2La2Tm5
Sr
2.00 · 22.2%
La
2.00 · 22.2%
Tm
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1766
eV/atom
Formation energy
0.1720
eV/atom
Corrected total energy
-34.0434
eV
Raw total energy
-34.0434
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.7635
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B2C5_276_spg12

Decomposition

LaTm2 Sr Tm

Computed at

2024-06-01 18:38:24.325145

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: agm009449258).

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 agm009449258
data_agm009449258
_cell_length_a     6.33527
_cell_length_b     6.37443
_cell_length_c     8.32490
_cell_angle_alpha  73.98497
_cell_angle_beta   82.78137
_cell_angle_gamma  80.25578
_cell_volume       317.37262
_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
  Sr1 Sr 0.67623 0.33809 0.66773 1.00000
  Sr2 Sr 0.32377 0.66191 0.33227 1.00000
  La1 La 0.10799 0.57029 0.79973 1.00000
  La2 La 0.89201 0.42971 0.20027 1.00000
  Tm1 Tm 0.44741 0.21614 0.11052 1.00000
  Tm2 Tm 0.55259 0.78386 0.88948 1.00000
  Tm3 Tm 0.22640 0.09198 0.56105 1.00000
  Tm4 Tm 0.77360 0.90802 0.43895 1.00000
  Tm5 Tm 0.00000 0.00000 0.00000 1.00000
Get direct link