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CeMn10Cu

Alexandria ALEX

Alex-ID: agm005236804 · Space group: Cmm2 (#35)

Alexandria Database API

Basic Information

Formula
CeMn10Cu
Alex-ID
agm005236804
Elements
3
Sites
24
Space group
Cmm2 (#35)
Crystal system
orthorhombic
Volume
321.52
ų
Cell a
8.2191
Å
Cell b
8.2191
Å
Cell c
4.7595
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeMn10Cu
Ce
2.00 · 8.3%
Mn
20.00 · 83.3%
Cu
2.00 · 8.3%

Energy & Stability

Energy above hull
0.1277
eV/atom
Formation energy
0.1132
eV/atom
Corrected total energy
-200.8625
eV
Raw total energy
-200.8625
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
28.6715
Total magnetisation
20.4128
μB

Additional Information

Prototype ID

ABC10_26_spg35

Decomposition

Mn CeCu

Computed at

2023-05-09 20:26:04.721945

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: agm005236804).

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 agm005236804
data_agm005236804
_cell_length_a     8.21913
_cell_length_b     8.21913
_cell_length_c     4.75953
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.18898
_cell_volume       321.52410
_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
  Ce1 Ce 0.50000 0.00000 0.00695 1.00000
  Ce2 Ce 0.00000 0.50000 0.00695 1.00000
  Mn1 Mn 0.88708 0.11292 0.00021 1.00000
  Mn2 Mn 0.11292 0.88708 0.00021 1.00000
  Mn3 Mn 0.61646 0.61646 0.00010 1.00000
  Mn4 Mn 0.38354 0.38354 0.00010 1.00000
  Mn5 Mn 0.42920 0.21805 0.50561 1.00000
  Mn6 Mn 0.57080 0.78195 0.50561 1.00000
  Mn7 Mn 0.06159 0.72120 0.51000 1.00000
  Mn8 Mn 0.93841 0.27880 0.51000 1.00000
  Mn9 Mn 0.27880 0.93841 0.51000 1.00000
  Mn10 Mn 0.72120 0.06159 0.51000 1.00000
  Mn11 Mn 0.78195 0.57080 0.50561 1.00000
  Mn12 Mn 0.21805 0.42920 0.50561 1.00000
  Mn13 Mn 0.82238 0.82238 0.23220 1.00000
  Mn14 Mn 0.17762 0.17762 0.23220 1.00000
  Mn15 Mn 0.32183 0.67817 0.73552 1.00000
  Mn16 Mn 0.67817 0.32183 0.73552 1.00000
  Mn17 Mn 0.17787 0.17787 0.77296 1.00000
  Mn18 Mn 0.82213 0.82213 0.77296 1.00000
  Mn19 Mn 0.00000 0.00000 0.50205 1.00000
  Mn20 Mn 0.50000 0.50000 0.49392 1.00000
  Cu1 Cu 0.68096 0.31904 0.22286 1.00000
  Cu2 Cu 0.31904 0.68096 0.22286 1.00000
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