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Sr2Tm9

Alexandria ALEX

Alex-ID: agm011964239 · Space group: C2/m (#12)

Basic Information

Formula
Sr2Tm9
Alex-ID
agm011964239
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
362.47
ų
Cell a
9.5266
Å
Cell b
9.5266
Å
Cell c
8.1075
Å
α angle
74.84
°
β angle
74.84
°
γ angle
30.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Tm9
Sr
2.00 · 18.2%
Tm
9.00 · 81.8%

Energy & Stability

Energy above hull
0.1384
eV/atom
Formation energy
0.1384
eV/atom
Corrected total energy
-42.0996
eV
Raw total energy
-42.0996
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.5176
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B9_47_spg2

Decomposition

Tm Sr

Computed at

2024-06-27 16:39:02.919886

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: agm011964239).

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 agm011964239
data_agm011964239
_cell_length_a     9.52659
_cell_length_b     9.52659
_cell_length_c     8.10745
_cell_angle_alpha  74.83520
_cell_angle_beta   74.83520
_cell_angle_gamma  30.78523
_cell_volume       362.47058
_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 0.82118 0.82118 0.89889 1.00000
  Sr2 Sr 0.17882 0.17882 0.10111 1.00000
  Tm1 Tm 0.54043 0.54043 0.28213 1.00000
  Tm2 Tm 0.37079 0.37079 0.19225 1.00000
  Tm3 Tm 0.45957 0.45957 0.71787 1.00000
  Tm4 Tm 0.62921 0.62921 0.80775 1.00000
  Tm5 Tm 0.91294 0.91294 0.43763 1.00000
  Tm6 Tm 0.08706 0.08706 0.56237 1.00000
  Tm7 Tm 0.00000 0.00000 0.00000 1.00000
  Tm8 Tm 0.27229 0.27229 0.61205 1.00000
  Tm9 Tm 0.72771 0.72771 0.38795 1.00000
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