Navigation

HEAS Data Platform · Materials Science Database

Ac8SmTm4

Alexandria ALEX

Alex-ID: agm097909882 · Space group: Cm (#8)

Basic Information

Formula
Ac8SmTm4
Alex-ID
agm097909882
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
514.55
ų
Cell a
3.8176
Å
Cell b
12.5830
Å
Cell c
12.3377
Å
α angle
61.80
°
β angle
90.00
°
γ angle
81.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8SmTm4
Ac
8.00 · 61.5%
Sm
1.00 · 7.7%
Tm
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0840
eV/atom
Formation energy
0.0822
eV/atom
Corrected total energy
-54.4086
eV
Raw total energy
-54.4086
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.6774
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1614_spg8

Decomposition

SmTm15 Sm2Tm7 Ac

Computed at

2025-06-19 01:01:59

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: agm097909882).

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 agm097909882
data_agm097909882
_cell_length_a     3.81759
_cell_length_b     12.58299
_cell_length_c     12.33772
_cell_angle_alpha  61.80131
_cell_angle_beta   90.00215
_cell_angle_gamma  81.29022
_cell_volume       514.55283
_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
  Ac1 Ac 0.96316 0.15165 0.27110 1.00000
  Ac2 Ac 0.15894 0.75788 0.17395 1.00000
  Ac3 Ac 0.23313 0.61044 0.67996 1.00000
  Ac4 Ac 0.42750 0.22240 0.55095 1.00000
  Ac5 Ac 0.61371 0.84934 0.40156 1.00000
  Ac6 Ac 0.80893 0.45939 0.23506 1.00000
  Ac7 Ac 0.88487 0.30716 0.79936 1.00000
  Ac8 Ac 0.67832 0.71945 0.89723 1.00000
  Sm1 Sm 0.50784 0.06161 0.05597 1.00000
  Tm1 Tm 0.03846 0.00091 0.84273 1.00000
  Tm2 Tm 0.34070 0.39608 0.01049 1.00000
  Tm3 Tm 0.77339 0.52897 0.47490 1.00000
  Tm4 Tm 0.07105 0.93472 0.60674 1.00000
Get direct link