Basic Information
Formula
Dy(MnSn)6
MP-ID
mp-1105051
Elements
3
Sites
13
Density
7.7957
g/cm³
Volume
256.54
ų
Cell a
5.6842
Å
Cell b
5.6842
Å
Cell c
9.1680
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 9.65 | 9.1680 | 4.9 | (0,0,0,1) |
| 18.02 | 4.9228 | 1.2 | (0,1,-1,0) |
| 18.02 | 4.9228 | 1.2 | (1,0,-1,0) |
| 18.02 | 4.9226 | 1.2 | (1,-1,0,0) |
| 19.36 | 4.5840 | 17.5 | (0,0,0,2) |
| 20.48 | 4.3371 | 1.1 | (0,1,-1,1) |
| 20.48 | 4.3371 | 1.1 | (1,0,-1,1) |
| 20.48 | 4.3370 | 1.1 | (1,-1,0,1) |
| 26.57 | 3.3548 | 3.6 | (0,1,-1,2) |
| 26.57 | 3.3548 | 3.6 | (1,0,-1,2) |
| 26.57 | 3.3547 | 3.6 | (1,-1,0,2) |
| 29.22 | 3.0560 | 29.3 | (0,0,0,3) |
| 31.48 | 2.8422 | 100.0 | (1,1,-2,0) |
| 31.48 | 2.8421 | 100.0 | (1,-2,1,0) |
| 31.48 | 2.8421 | 100.0 | (2,-1,-1,0) |
| 34.55 | 2.5964 | 87.5 | (1,0,-1,3) |
| 34.55 | 2.5964 | 43.8 | (1,-1,0,3) |
| 36.50 | 2.4614 | 27.6 | (0,2,-2,0) |
| 36.50 | 2.4614 | 27.6 | (2,0,-2,0) |
| 36.51 | 2.4613 | 27.6 | (2,-2,0,0) |
| 37.22 | 2.4156 | 87.9 | (1,1,-2,2) |
| 37.22 | 2.4155 | 87.8 | (1,-2,1,2) |
| 37.22 | 2.4155 | 87.8 | (2,-1,-1,2) |
| 39.31 | 2.2920 | 65.7 | (0,0,0,4) |
Energy Properties
Formation Energy/atom
-0.13828
eV/atom
Energy/atom
-6.57274
eV/atom
Energy above Hull
0.0016
eV/atom
Uncorrected Energy
-20.9174
eV/atom
Volume/atom
19.73
ų
c/a Ratio
1.6129
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
21.1373
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.082390
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.462
Element Family
N/A
Solute Fraction
0.538
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.690
Family
Mn-rich Multi-Component
Matrix Element
Mn · 0.462
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1105051
Reference Citation
The crystal structure and related material properties of Dy(MnSn)6 were obtained from the Materials Project database (MP-ID: mp-1105051, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Dy(MnSn)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68423816
_cell_length_b 5.68424143
_cell_length_c 9.16796239
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99776043
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy(MnSn)6
_chemical_formula_sum 'Dy1 Mn6 Sn6'
_cell_volume 256.54174024
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy Dy0 1 0.00000000 0.00000000 -0.00000000 1.0
Mn Mn1 1 0.50000000 0.50000000 0.75331855 1.0
Mn Mn2 1 0.50000000 0.00000000 0.75331768 1.0
Mn Mn3 1 0.00000000 0.50000000 0.75331547 1.0
Mn Mn4 1 0.50000000 0.50000000 0.24668145 1.0
Mn Mn5 1 0.50000000 0.00000000 0.24668232 1.0
Mn Mn6 1 0.00000000 0.50000000 0.24668453 1.0
Sn Sn7 1 0.66666367 0.33333766 -0.00000000 1.0
Sn Sn8 1 0.33333633 0.66666234 -0.00000000 1.0
Sn Sn9 1 0.66666257 0.33333465 0.50000000 1.0
Sn Sn10 1 0.33333743 0.66666535 0.50000000 1.0
Sn Sn11 1 0.00000000 0.00000000 0.66457970 1.0
Sn Sn12 1 0.00000000 0.00000000 0.33542030 1.0
