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Ac2Ce2MnSb2

Alexandria ALEX

Alex-ID: agm024591272 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Ac2Ce2MnSb2
Alex-ID
agm024591272
Elements
4
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
214.46
ų
Cell a
9.7030
Å
Cell b
9.7030
Å
Cell c
9.7030
Å
α angle
150.98
°
β angle
150.98
°
γ angle
41.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac2Ce2MnSb2
Ac
2.00 · 28.6%
Ce
2.00 · 28.6%
Mn
1.00 · 14.3%
Sb
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7113
eV/atom
Corrected total energy
-42.4777
eV
Raw total energy
-42.4777
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.4782
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C2D2_132_spg139

Decomposition

Ac2Ce2MnSb2

Computed at

2024-09-04 23:31:55.386412

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: agm024591272).

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 agm024591272
data_agm024591272
_cell_length_a     9.70298
_cell_length_b     9.70298
_cell_length_c     9.70298
_cell_angle_alpha  150.98308
_cell_angle_beta   150.98308
_cell_angle_gamma  41.50023
_cell_volume       214.45899
_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 0.17152 0.17152 0.00000 1.00000
  Ac2 Ac 0.82848 0.82848 0.00000 1.00000
  Ce1 Ce 0.00000 0.50000 0.50000 1.00000
  Ce2 Ce 0.50000 0.00000 0.50000 1.00000
  Mn1 Mn 0.00000 0.00000 0.00000 1.00000
  Sb1 Sb 0.36560 0.36560 0.00000 1.00000
  Sb2 Sb 0.63440 0.63440 0.00000 1.00000
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