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DyMn4(CrGe3)2

Alexandria ALEX

Alex-ID: agm005240248 · Space group: Cmm2 (#35)

Basic Information

Formula
DyMn4(CrGe3)2
Alex-ID
agm005240248
Elements
4
Sites
13
Space group
Cmm2 (#35)
Crystal system
orthorhombic
Volume
189.47
ų
Cell a
5.1833
Å
Cell b
5.1833
Å
Cell c
8.2015
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.70
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyMn4(CrGe3)2
Dy
1.00 · 7.7%
Mn
4.00 · 30.8%
Cr
2.00 · 15.4%
Ge
6.00 · 46.2%

Energy & Stability

Energy above hull
0.0148
eV/atom
Formation energy
-0.2709
eV/atom
Corrected total energy
-91.7543
eV
Raw total energy
-91.7543
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0235
eV
DOS at Fermi level
7.0687
Total magnetisation
9.3420
μB

Additional Information

Prototype ID

AB2C4D6_12_spg191

Decomposition

Dy3Ge5 Dy(MnGe)6 Ge Cr3Ge

Computed at

2023-05-06 13:01:11.074856

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: agm005240248).

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 agm005240248
data_agm005240248
_cell_length_a     5.18328
_cell_length_b     5.18328
_cell_length_c     8.20146
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.69637
_cell_volume       189.47015
_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
  Dy1 Dy 0.50000 0.50000 0.99904 1.00000
  Mn1 Mn 0.00000 0.00000 0.74944 1.00000
  Mn2 Mn 0.00000 0.50000 0.25050 1.00000
  Mn3 Mn 0.50000 0.00000 0.25050 1.00000
  Mn4 Mn 0.00000 0.00000 0.25094 1.00000
  Cr1 Cr 0.00000 0.50000 0.75024 1.00000
  Cr2 Cr 0.50000 0.00000 0.75024 1.00000
  Ge1 Ge 0.16787 0.83213 0.49885 1.00000
  Ge2 Ge 0.83213 0.16787 0.49885 1.00000
  Ge3 Ge 0.16756 0.83244 0.00177 1.00000
  Ge4 Ge 0.83244 0.16756 0.00177 1.00000
  Ge5 Ge 0.50000 0.50000 0.65375 1.00000
  Ge6 Ge 0.50000 0.50000 0.34413 1.00000
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