Dy3Ge5

传统材料 TRA

MP-ID: mp-1181500 · Space group: P-62c (#190)

Materials Project API

Basic Information

Formula

Dy3Ge5

MP-ID

mp-1181500

Elements

Sites

Density

8.3112

g/cm³

Volume

339.93

Å³

Cell a

6.8848

Cell b

6.8848

Cell c

8.2809

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62c

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
21.46	4.1404	3.6	(0,0,0,2)
25.88	3.4424	21.8	(1,1,-2,0)
25.88	3.4424	21.8	(1,-2,1,0)
25.88	3.4424	21.8	(2,-1,-1,0)
31.90	2.8050	4.7	(0,2,-2,1)
31.90	2.8050	4.7	(2,0,-2,1)
31.91	2.8050	4.7	(2,-2,0,1)
33.86	2.6471	100.0	(1,1,-2,2)
33.86	2.6470	100.0	(1,-2,1,2)
33.86	2.6470	100.0	(2,-1,-1,2)
41.53	2.1745	3.5	(1,2,-3,1)
41.53	2.1745	3.5	(2,1,-3,1)
41.53	2.1745	3.5	(1,-3,2,1)
41.53	2.1745	3.5	(3,-1,-2,1)
41.53	2.1745	3.5	(2,-3,1,1)
41.53	2.1745	3.5	(3,-2,-1,1)
43.73	2.0702	42.1	(0,0,0,4)
44.74	2.0254	1.8	(0,2,-2,3)
44.74	2.0254	1.8	(2,0,-2,3)
44.74	2.0254	1.8	(2,-2,0,3)
45.65	1.9875	28.7	(0,3,-3,0)
45.65	1.9875	28.7	(3,0,-3,0)
45.65	1.9875	28.7	(3,-3,0,0)
50.97	1.7918	3.3	(0,3,-3,2)

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Energy Properties

Formation Energy/atom

-0.77734

eV/atom

Energy/atom

-21.44051

eV/atom

Energy above Hull

0.0021

eV/atom

Uncorrected Energy

-21.4405

eV/atom

Volume/atom

21.25

Å³

c/a Ratio

1.2028

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.598

Family

Binary Alloy

Matrix Element

Ge · 0.625

Related Tasks

Related computation task IDs (5)

aaadnffe aaadrkta aaaelapw aaaeufgo aaafdboc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1181500

Reference Citation

The crystal structure and related material properties of Dy3Ge5 were obtained from the Materials Project database (MP-ID: mp-1181500, 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_Dy3Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88476382
_cell_length_b   6.88480106
_cell_length_c   8.28088715
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99896670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Ge5
_chemical_formula_sum   'Dy6 Ge10'
_cell_volume   339.93232286
_cell_formula_units_Z   2
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  0.66715071  0.66715071  0.00000000  1.0
  Dy  Dy1  1  0.33286229  0.00000647  -0.00000185  1.0
  Dy  Dy2  1  0.00000747  0.33286329  0.00000185  1.0
  Dy  Dy3  1  0.66715071  0.66715071  0.50000000  1.0
  Dy  Dy4  1  0.33286229  0.00000647  0.50000185  1.0
  Dy  Dy5  1  0.00000747  0.33286329  0.49999815  1.0
  Ge  Ge6  1  0.66667099  0.33333656  0.75000000  1.0
  Ge  Ge7  1  0.33333656  0.66667199  0.25000000  1.0
  Ge  Ge8  1  0.00001014  0.00000951  0.75000000  1.0
  Ge  Ge9  1  0.00000951  0.00001014  0.25000000  1.0
  Ge  Ge10  1  0.60163568  0.93198768  0.75000000  1.0
  Ge  Ge11  1  0.06801894  0.66964868  0.75000000  1.0
  Ge  Ge12  1  0.33036165  0.39837921  0.75000000  1.0
  Ge  Ge13  1  0.93198768  0.60163568  0.25000000  1.0
  Ge  Ge14  1  0.66964868  0.06801894  0.25000000  1.0
  Ge  Ge15  1  0.39837821  0.33036165  0.25000000  1.0

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