Dy5Ge3

传统材料 TRA

MP-ID: mp-1105737 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Dy5Ge3

MP-ID

mp-1105737

Elements

Sites

Density

8.6204

g/cm³

Volume

396.98

Å³

Cell a

6.3996

Cell b

8.4633

Cell c

8.4633

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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
12.08	7.3295	1.5	(0,1,-1,0)
12.08	7.3295	1.5	(0,0,0,1)
12.08	7.3294	1.5	(0,1,-1,-1)
20.99	4.2317	3.2	(0,1,-1,1)
20.99	4.2317	3.2	(0,2,-2,-1)
20.99	4.2317	3.2	(0,1,-1,-2)
24.29	3.6647	17.6	(0,2,-2,0)
24.29	3.6647	17.6	(0,0,0,2)
24.29	3.6647	17.6	(0,2,-2,-2)
25.23	3.5298	6.8	(1,-1,0,-1)
25.23	3.5298	6.8	(1,1,-2,1)
25.23	3.5298	13.6	(1,-2,1,1)
25.23	3.5298	13.6	(1,-1,0,2)
27.88	3.1998	43.2	(2,0,-2,0)
30.48	2.9325	78.5	(2,-1,-1,0)
30.48	2.9325	39.2	(2,-1,-1,1)
32.32	2.7703	23.3	(0,2,-2,1)
32.32	2.7703	23.3	(0,1,-1,2)
32.32	2.7703	23.3	(0,3,-3,-1)
32.32	2.7703	23.3	(0,1,-1,-3)
32.32	2.7703	23.3	(0,3,-3,-2)
32.32	2.7703	23.3	(0,2,-2,-3)
35.16	2.5523	100.0	(2,-1,-1,-1)
35.16	2.5523	100.0	(2,-2,0,1)

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Energy Properties

Formation Energy/atom

-0.92033

eV/atom

Energy/atom

-26.11095

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.1109

eV/atom

Volume/atom

24.81

Å³

c/a Ratio

1.3225

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

K_VRH

71.114

GPa

G_VRH

51.133

GPa

Young's Modulus E

123.741

GPa

Poisson Ratio ν

0.210

Pugh Ratio K/G

1.391

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

0.135

Lame λ

37.025

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.679

Family

Binary Alloy

Matrix Element

Dy · 0.625

Related Tasks

Related computation task IDs (5)

aaadniff aaadtfnn aaaeijbw aaaeudbg aaafdbmb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1105737

Reference Citation

The crystal structure and related material properties of Dy5Ge3 were obtained from the Materials Project database (MP-ID: mp-1105737, 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_Dy5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39960932
_cell_length_b   8.46330207
_cell_length_c   8.46329263
_cell_angle_alpha   119.99974780
_cell_angle_beta   89.99999883
_cell_angle_gamma   90.00000407
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5Ge3
_chemical_formula_sum   'Dy10 Ge6'
_cell_volume   396.97613285
_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  0.50000027  0.33333222  0.66667196  1.0
  Dy  Dy1  1  0.50000028  0.66666041  0.33332804  1.0
  Dy  Dy2  1  0.99999958  0.66666736  0.33332808  1.0
  Dy  Dy3  1  0.99999959  0.33333910  0.66667196  1.0
  Dy  Dy4  1  0.75000342  0.24216403  0.99999991  1.0
  Dy  Dy5  1  0.74999834  0.75783153  0.75782915  1.0
  Dy  Dy6  1  0.74999825  0.00000298  0.24217096  1.0
  Dy  Dy7  1  0.25000339  0.75783464  0.99999947  1.0
  Dy  Dy8  1  0.24999835  0.24216903  0.24217135  1.0
  Dy  Dy9  1  0.24999911  0.99999789  0.75782824  1.0
  Ge  Ge10  1  0.74999584  0.60680292  0.00000051  1.0
  Ge  Ge11  1  0.75000170  0.39320045  0.39320193  1.0
  Ge  Ge12  1  0.75000168  0.00000141  0.60680063  1.0
  Ge  Ge13  1  0.24999580  0.39319587  0.99999784  1.0
  Ge  Ge14  1  0.25000170  0.60679885  0.60679879  1.0
  Ge  Ge15  1  0.25000170  0.00000032  0.39320016  1.0

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