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Ac4Co2Tc

Alexandria ALEX

Alex-ID: agm096597482 · Space group: P2/m (#10)

Basic Information

Formula
Ac4Co2Tc
Alex-ID
agm096597482
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
203.07
ų
Cell a
4.9027
Å
Cell b
4.9701
Å
Cell c
8.3346
Å
α angle
90.00
°
β angle
89.37
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac4Co2Tc
Ac
4.00 · 57.1%
Co
2.00 · 28.6%
Tc
1.00 · 14.3%

Energy & Stability

Energy above hull
0.2225
eV/atom
Formation energy
0.1828
eV/atom
Corrected total energy
-39.7679
eV
Raw total energy
-39.7679
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.0204
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_344_spg2

Decomposition

Ac3Co CoTc3 AcCo

Computed at

2025-04-10 16:37:23

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: agm096597482).

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 agm096597482
data_agm096597482
_cell_length_a     4.90266
_cell_length_b     4.97011
_cell_length_c     8.33456
_cell_angle_alpha  90.00000
_cell_angle_beta   89.36837
_cell_angle_gamma  90.00000
_cell_volume       203.07370
_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 0.24531 0.50000 0.17877 1.00000
  Ac2 Ac 0.26079 0.00000 0.66301 1.00000
  Ac3 Ac 0.73921 0.00000 0.33699 1.00000
  Ac4 Ac 0.75469 0.50000 0.82123 1.00000
  Co1 Co 0.50000 0.00000 0.00000 1.00000
  Co2 Co 0.50000 0.50000 0.50000 1.00000
  Tc1 Tc 0.00000 0.00000 0.00000 1.00000
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