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Ac(Sm2Tc)4

Alexandria ALEX

Alex-ID: agm097906314 · Space group: Cm (#8)

Basic Information

Formula
Ac(Sm2Tc)4
Alex-ID
agm097906314
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
364.46
ų
Cell a
4.0290
Å
Cell b
10.4942
Å
Cell c
8.9483
Å
α angle
81.63
°
β angle
103.04
°
γ angle
90.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac(Sm2Tc)4
Ac
1.00 · 7.7%
Sm
8.00 · 61.5%
Tc
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1322
eV/atom
Formation energy
0.1073
eV/atom
Corrected total energy
-81.9653
eV
Raw total energy
-81.9653
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.2973
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1269_spg8

Decomposition

SmTc2 Ac Sm

Computed at

2025-06-19 17:52:29

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: agm097906314).

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 agm097906314
data_agm097906314
_cell_length_a     4.02897
_cell_length_b     10.49418
_cell_length_c     8.94832
_cell_angle_alpha  81.62982
_cell_angle_beta   103.03561
_cell_angle_gamma  90.02726
_cell_volume       364.45974
_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 0.78569 0.98911 0.11064 1.00000
  Sm1 Sm 0.30148 0.28751 0.14087 1.00000
  Sm2 Sm 0.31789 0.64667 0.17419 1.00000
  Sm3 Sm 0.13627 0.55596 0.81042 1.00000
  Sm4 Sm 0.97806 0.10314 0.49422 1.00000
  Sm5 Sm 0.96243 0.76434 0.46310 1.00000
  Sm6 Sm 0.94737 0.43154 0.43397 1.00000
  Sm7 Sm 0.62100 0.26728 0.78066 1.00000
  Sm8 Sm 0.60373 0.88574 0.74659 1.00000
  Tc1 Tc 0.15373 0.06521 0.84666 1.00000
  Tc2 Tc 0.76162 0.47809 0.06162 1.00000
  Tc3 Tc 0.51320 0.56669 0.56520 1.00000
  Tc4 Tc 0.41753 0.95872 0.37187 1.00000
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