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Er7Mn2

Alexandria ALEX

Alex-ID: agm008758232 · Space group: P-1 (#2)

Basic Information

Formula
Er7Mn2
Alex-ID
agm008758232
Elements
2
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
234.97
ų
Cell a
6.4019
Å
Cell b
6.7773
Å
Cell c
6.1790
Å
α angle
115.32
°
β angle
87.20
°
γ angle
103.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er7Mn2
Er
7.00 · 77.8%
Mn
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1312
eV/atom
Formation energy
0.1287
eV/atom
Corrected total energy
-49.1209
eV
Raw total energy
-49.1209
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0022
eV
DOS at Fermi level
11.1885
Total magnetisation
3.1952
μB

Additional Information

Prototype ID

A2B7_40_spg12

Decomposition

Er2Mn17 Er

Computed at

2024-03-17 12:57:48.732260

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: agm008758232).

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 agm008758232
data_agm008758232
_cell_length_a     6.40189
_cell_length_b     6.77733
_cell_length_c     6.17898
_cell_angle_alpha  115.31624
_cell_angle_beta   87.20476
_cell_angle_gamma  103.75440
_cell_volume       234.96729
_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
  Er1 Er 0.41630 0.72740 0.97488 1.00000
  Er2 Er 0.58370 0.27260 0.02512 1.00000
  Er3 Er 0.73380 0.91384 0.48328 1.00000
  Er4 Er 0.26620 0.08616 0.51672 1.00000
  Er5 Er 0.23437 0.53901 0.39755 1.00000
  Er6 Er 0.76563 0.46099 0.60245 1.00000
  Er7 Er 0.00000 0.00000 0.00000 1.00000
  Mn1 Mn 0.05235 0.36128 0.86499 1.00000
  Mn2 Mn 0.94765 0.63872 0.13501 1.00000
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