Navigation

HEAS Data Platform · Materials Science Database

Sr2Er2Mn5

Alexandria ALEX

Alex-ID: agm008763757 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Sr2Er2Mn5
Alex-ID
agm008763757
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
207.30
ų
Cell a
6.6481
Å
Cell b
6.6481
Å
Cell c
8.6629
Å
α angle
78.24
°
β angle
78.24
°
γ angle
33.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Er2Mn5
Sr
2.00 · 22.2%
Er
2.00 · 22.2%
Mn
5.00 · 55.6%

Energy & Stability

Energy above hull
0.3392
eV/atom
Formation energy
0.3329
eV/atom
Corrected total energy
-55.3563
eV
Raw total energy
-55.3563
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0010
eV
DOS at Fermi level
10.5322
Total magnetisation
4.6547
μB

Additional Information

Prototype ID

A2B2C5_610_spg69

Decomposition

Er2Mn17 Sr Er

Computed at

2024-06-24 11:45:44.552482

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: agm008763757).

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 agm008763757
data_agm008763757
_cell_length_a     6.64808
_cell_length_b     6.64808
_cell_length_c     8.66290
_cell_angle_alpha  78.24202
_cell_angle_beta   78.24202
_cell_angle_gamma  33.65100
_cell_volume       207.29933
_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
  Sr1 Sr 0.28667 0.28667 0.17679 1.00000
  Sr2 Sr 0.71333 0.71333 0.82321 1.00000
  Er1 Er 0.46817 0.46817 0.71341 1.00000
  Er2 Er 0.53183 0.53183 0.28659 1.00000
  Mn1 Mn 0.89904 0.89904 0.47579 1.00000
  Mn2 Mn 0.10096 0.10096 0.52421 1.00000
  Mn3 Mn 0.30902 0.30902 0.52545 1.00000
  Mn4 Mn 0.69098 0.69098 0.47455 1.00000
  Mn5 Mn 0.00000 0.00000 0.00000 1.00000
Get direct link