Dy7In(CoGe3)4

高熵材料 HEA

MP-ID: mp-641778 · Space group: P4/m (#83)

Materials Project API

Basic Information

Formula

Dy7In(CoGe3)4

MP-ID

mp-641778

Elements

Sites

Density

8.6021

g/cm³

Volume

455.52

Å³

Cell a

10.4123

Cell b

10.4123

Cell c

4.2016

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/m

Point Group

4/m

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

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
19.06	4.6565	2.3	(2,1,0)
22.82	3.8963	2.9	(1,0,1)
24.18	3.6813	4.6	(2,2,0)
24.39	3.6492	3.9	(1,1,1)
25.67	3.4708	4.5	(3,0,0)
27.08	3.2927	3.6	(3,1,0)
27.28	3.2696	1.3	(2,0,1)
28.62	3.1194	1.2	(2,1,1)
30.97	2.8879	3.9	(3,2,0)
32.33	2.7689	7.7	(2,2,1)
33.49	2.6759	20.3	(3,0,1)
34.45	2.6031	5.7	(4,0,0)
34.61	2.5917	100.0	(3,1,1)
35.55	2.5254	4.2	(4,1,0)
36.62	2.4542	3.6	(3,3,0)
37.80	2.3799	29.8	(3,2,1)
38.67	2.3283	25.2	(4,2,0)
40.78	2.2128	1.7	(4,0,1)
41.73	2.1645	1.2	(4,1,1)
43.06	2.1008	25.9	(0,0,2)
43.46	2.0825	11.5	(4,3,0)
47.00	1.9335	12.1	(5,2,0)
48.81	1.8659	1.4	(4,3,1)
49.52	1.8407	1.3	(4,4,0)

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Energy Properties

Formation Energy/atom

-0.67131

eV/atom

Energy/atom

-5.63372

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-5.6337

eV/atom

Volume/atom

18.98

Å³

c/a Ratio

0.4035

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0013

μB

Mag. Ordering

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 · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1370

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.4530

J/mol·K

Ω Parameter

21.3135

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.379%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3444

smaller = more stable mixing

VEC

6.542

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.625

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8202

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (5)

aaaddqlk aaadntjw aaadutfu aaaetqih aaafisne

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-641778

Reference Citation

The crystal structure and related material properties of Dy7In(CoGe3)4 were obtained from the Materials Project database (MP-ID: mp-641778, 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_Dy7In(CoGe3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41227400
_cell_length_b   10.41227400
_cell_length_c   4.20159800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy7In(CoGe3)4
_chemical_formula_sum   'Dy7 In1 Co4 Ge12'
_cell_volume   455.51813726
_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  0.32578800  0.32299300  0.50000000  1.0
  Dy  Dy1  1  0.32299300  0.67421200  0.50000000  1.0
  Dy  Dy2  1  0.50000000  0.00000000  0.50000000  1.0
  Dy  Dy3  1  0.67421200  0.67700700  0.50000000  1.0
  Dy  Dy4  1  0.67700700  0.32578800  0.50000000  1.0
  Dy  Dy5  1  0.00000000  0.50000000  0.50000000  1.0
  Dy  Dy6  1  0.00000000  0.00000000  0.00000000  1.0
  In  In7  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co8  1  0.72063500  0.11792100  0.00000000  1.0
  Co  Co9  1  0.27936500  0.88207900  0.00000000  1.0
  Co  Co10  1  0.88207900  0.72063500  0.00000000  1.0
  Co  Co11  1  0.11792100  0.27936500  0.00000000  1.0
  Ge  Ge12  1  0.88713600  0.28572100  0.00000000  1.0
  Ge  Ge13  1  0.21355000  0.48708500  0.00000000  1.0
  Ge  Ge14  1  0.11286400  0.71427900  0.00000000  1.0
  Ge  Ge15  1  0.06546300  0.19500000  0.50000000  1.0
  Ge  Ge16  1  0.80500000  0.06546300  0.50000000  1.0
  Ge  Ge17  1  0.19500000  0.93453700  0.50000000  1.0
  Ge  Ge18  1  0.78645000  0.51291500  0.00000000  1.0
  Ge  Ge19  1  0.93453700  0.80500000  0.50000000  1.0
  Ge  Ge20  1  0.51291500  0.21355000  0.00000000  1.0
  Ge  Ge21  1  0.28572100  0.11286400  0.00000000  1.0
  Ge  Ge22  1  0.71427900  0.88713600  0.00000000  1.0
  Ge  Ge23  1  0.48708500  0.78645000  0.00000000  1.0

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