Navigation

HEAS Data Platform · Materials Science Database

DyMn2

传统材料 TRA

MP-ID: mp-1102404 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
DyMn2
MP-ID
mp-1102404
Elements
2
Sites
12
Density
9.5255
g/cm³
Volume
189.93
ų
Cell a
5.0131
Å
Cell b
5.0166
Å
Cell c
8.7185
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.98
°
Space Group
P6_3/mmc
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)
2θd (Å)Ihkl
20.37 4.3592 12.6 (0,0,0,2)
20.44 4.3455 6.7 (0,1,-1,0)
20.45 4.3425 13.6 (1,0,-1,0)
22.87 3.8892 6.2 (0,1,-1,1)
22.88 3.8870 12.3 (1,0,-1,1)
29.01 3.0776 6.1 (0,1,-1,2)
29.02 3.0765 12.1 (1,0,-1,2)
35.80 2.5083 58.9 (1,1,-2,0)
35.82 2.5066 29.4 (2,-1,-1,0)
37.22 2.4157 50.0 (0,1,-1,3)
37.23 2.4152 100.0 (1,0,-1,3)
41.43 2.1796 7.7 (0,0,0,4)
41.54 2.1741 82.8 (1,1,-2,2)
41.56 2.1730 41.3 (2,-1,-1,2)
41.56 2.1728 6.7 (0,2,-2,0)
41.59 2.1713 13.4 (2,0,-2,0)
42.90 2.1083 22.3 (0,2,-2,1)
42.93 2.1069 44.5 (2,0,-2,1)
46.62 1.9483 2.2 (0,1,-1,4)
46.63 1.9480 4.4 (1,0,-1,4)
52.59 1.7402 2.9 (0,2,-2,3)
52.62 1.7394 5.7 (2,0,-2,3)
56.90 1.6183 6.1 (0,1,-1,5)
56.91 1.6181 12.1 (1,0,-1,5)
Get direct link

Energy Properties

Formation Energy/atom
0.07106
eV/atom
Energy/atom
-20.37843
eV/atom
Energy above Hull
0.1169
eV/atom
Uncorrected Energy
-7.5294
eV/atom
Volume/atom
15.83
ų
c/a Ratio
1.7391

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
3.4739
μB
Mag. Ordering
FiM
Mag. Sites
12
Magnetization/Volume
0.018290
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.710
Family
Binary Alloy
Matrix Element
Mn · 0.667

Related Tasks

Related computation task IDs (2)
aaaezeeo aaaezlll

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1102404
Reference Citation

The crystal structure and related material properties of DyMn2 were obtained from the Materials Project database (MP-ID: mp-1102404, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_DyMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01311200
_cell_length_b   5.01661951
_cell_length_c   8.71844600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.97687405
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyMn2
_chemical_formula_sum   'Dy4 Mn8'
_cell_volume   189.92819540
_cell_formula_units_Z   4
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  0.33334300  0.66668600  0.43494900  1.0
  Dy  Dy1  1  0.66665700  0.33331400  0.56505100  1.0
  Dy  Dy2  1  0.66665700  0.33331400  0.93494900  1.0
  Dy  Dy3  1  0.33334300  0.66668600  0.06505100  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn5  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn6  1  0.83060300  0.16872400  0.25000000  1.0
  Mn  Mn7  1  0.83120900  0.66241800  0.25000000  1.0
  Mn  Mn8  1  0.33812100  0.16872400  0.25000000  1.0
  Mn  Mn9  1  0.16939700  0.83127600  0.75000000  1.0
  Mn  Mn10  1  0.16879100  0.33758200  0.75000000  1.0
  Mn  Mn11  1  0.66187900  0.83127600  0.75000000  1.0
Get direct link