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YMn17Co

Alexandria ALEX

Alex-ID: agm005754733 · Space group: R3m (#160)

Basic Information

Formula
YMn17Co
Alex-ID
agm005754733
Elements
3
Sites
19
Space group
R3m (#160)
Crystal system
trigonal
Volume
230.60
ų
Cell a
6.2137
Å
Cell b
6.2137
Å
Cell c
6.2137
Å
α angle
80.26
°
β angle
80.26
°
γ angle
80.26
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YMn17Co
Y
1.00 · 5.3%
Mn
17.00 · 89.5%
Co
1.00 · 5.3%

Energy & Stability

Energy above hull
0.1933
eV/atom
Formation energy
0.1734
eV/atom
Corrected total energy
-166.1739
eV
Raw total energy
-166.1739
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0031
eV
DOS at Fermi level
26.5699
Total magnetisation
3.5235
μB

Additional Information

Prototype ID

ABC17_2_spg160

Decomposition

Mn YCo

Computed at

2023-07-11 17:35:26.917149

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: agm005754733).

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 agm005754733
data_agm005754733
_cell_length_a     6.21374
_cell_length_b     6.21374
_cell_length_c     6.21374
_cell_angle_alpha  80.26205
_cell_angle_beta   80.26204
_cell_angle_gamma  80.26205
_cell_volume       230.60039
_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
  Y1 Y 0.65805 0.65805 0.65805 1.00000
  Mn1 Mn 0.29669 0.01764 0.67624 1.00000
  Mn2 Mn 0.67624 0.29669 0.01764 1.00000
  Mn3 Mn 0.01764 0.67624 0.29669 1.00000
  Mn4 Mn 0.29669 0.67624 0.01764 1.00000
  Mn5 Mn 0.01764 0.29669 0.67624 1.00000
  Mn6 Mn 0.67624 0.01764 0.29669 1.00000
  Mn7 Mn 0.34073 0.84912 0.34073 1.00000
  Mn8 Mn 0.34073 0.34073 0.84912 1.00000
  Mn9 Mn 0.84912 0.34073 0.34073 1.00000
  Mn10 Mn 0.65577 0.16168 0.65577 1.00000
  Mn11 Mn 0.65577 0.65577 0.16168 1.00000
  Mn12 Mn 0.16168 0.65577 0.65577 1.00000
  Mn13 Mn 0.98833 0.49040 0.98833 1.00000
  Mn14 Mn 0.98833 0.98833 0.49040 1.00000
  Mn15 Mn 0.49040 0.98833 0.98833 1.00000
  Mn16 Mn 0.90799 0.90799 0.90799 1.00000
  Mn17 Mn 0.08509 0.08509 0.08509 1.00000
  Co1 Co 0.39685 0.39685 0.39685 1.00000
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