Dy3(Ge3Pt2)2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-645630 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Dy3(Ge3Pt2)2

MP-ID

mp-645630

Elements

Sites

Density

11.2662

g/cm³

Volume

1,004.43

Å³

Cell a

4.3466

Cell b

8.8043

Cell c

26.2464

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
13.49	6.5616	5.1	(0,0,4)
20.46	4.3415	6.8	(0,2,1)
21.54	4.1262	8.5	(1,0,2)
22.61	3.9324	1.6	(0,2,3)
23.07	3.8553	1.1	(1,1,1)
26.42	3.3730	16.3	(0,2,5)
27.18	3.2808	8.7	(0,0,8)
28.96	3.0833	10.5	(1,0,6)
29.07	3.0717	28.2	(1,2,1)
30.66	2.9161	14.1	(1,2,3)
31.34	2.8544	2.3	(0,2,7)
33.45	2.6790	2.5	(0,3,4)
33.63	2.6648	100.0	(1,2,5)
34.16	2.6246	3.4	(0,0,10)
34.24	2.6186	56.3	(1,0,8)
35.03	2.5616	3.1	(0,3,5)
36.88	2.4371	1.4	(0,3,6)
36.96	2.4323	1.6	(1,3,0)
36.97	2.4312	38.1	(0,2,9)
37.12	2.4219	3.3	(1,3,1)
37.61	2.3915	4.1	(1,3,2)
37.70	2.3860	1.1	(1,2,7)
38.41	2.3434	4.8	(1,3,3)
38.97	2.3110	1.0	(0,3,7)

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Energy Properties

Formation Energy/atom

-0.94782

eV/atom

Energy/atom

-30.57306

eV/atom

Energy above Hull

0.0037

eV/atom

Uncorrected Energy

-5.9311

eV/atom

Volume/atom

19.32

Å³

c/a Ratio

6.0383

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0010

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 · 0.462

Element Family

PostTransition-Noble

Solute Fraction

0.538

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0579

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7954

J/mol·K

Ω Parameter

2.7814

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.952%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3957

smaller = more stable mixing

VEC

7.231

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.980

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9629

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaadryff aaaeazxl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-645630

Reference Citation

The crystal structure and related material properties of Dy3(Ge3Pt2)2 were obtained from the Materials Project database (MP-ID: mp-645630, 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…

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Raw CIF Data

# generated using pymatgen
data_Dy3(Ge3Pt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34664200
_cell_length_b   8.80429900
_cell_length_c   26.24637500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3(Ge3Pt2)2
_chemical_formula_sum   'Dy12 Ge24 Pt16'
_cell_volume   1004.42608950
_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  0.75000000  0.37471200  0.78030300  1.0
  Dy  Dy1  1  0.75000000  0.13542600  0.90587000  1.0
  Dy  Dy2  1  0.75000000  0.61330900  0.90688800  1.0
  Dy  Dy3  1  0.75000000  0.88669100  0.40688800  1.0
  Dy  Dy4  1  0.75000000  0.12528800  0.28030300  1.0
  Dy  Dy5  1  0.75000000  0.36457400  0.40587000  1.0
  Dy  Dy6  1  0.25000000  0.11330900  0.59311200  1.0
  Dy  Dy7  1  0.25000000  0.62528800  0.21969700  1.0
  Dy  Dy8  1  0.25000000  0.63542600  0.59413000  1.0
  Dy  Dy9  1  0.25000000  0.87471200  0.71969700  1.0
  Dy  Dy10  1  0.25000000  0.86457400  0.09413000  1.0
  Dy  Dy11  1  0.25000000  0.38669100  0.09311200  1.0
  Ge  Ge12  1  0.25000000  0.12167700  0.00149800  1.0
  Ge  Ge13  1  0.75000000  0.87404900  0.63855100  1.0
  Ge  Ge14  1  0.75000000  0.12694100  0.14248300  1.0
  Ge  Ge15  1  0.25000000  0.37404900  0.86144900  1.0
  Ge  Ge16  1  0.25000000  0.27293100  0.21614300  1.0
  Ge  Ge17  1  0.75000000  0.87832300  0.99850200  1.0
  Ge  Ge18  1  0.75000000  0.12875600  0.50303600  1.0
  Ge  Ge19  1  0.25000000  0.12595100  0.36144900  1.0
  Ge  Ge20  1  0.75000000  0.77293100  0.28385700  1.0
  Ge  Ge21  1  0.25000000  0.87305900  0.85751700  1.0
  Ge  Ge22  1  0.25000000  0.97727700  0.21645300  1.0
  Ge  Ge23  1  0.25000000  0.52272300  0.71645300  1.0
  Ge  Ge24  1  0.75000000  0.62167700  0.49850200  1.0
  Ge  Ge25  1  0.75000000  0.62595100  0.13855100  1.0
  Ge  Ge26  1  0.25000000  0.22706900  0.71614300  1.0
  Ge  Ge27  1  0.75000000  0.37305900  0.64248300  1.0
  Ge  Ge28  1  0.25000000  0.62694100  0.35751700  1.0
  Ge  Ge29  1  0.75000000  0.02272300  0.78354700  1.0
  Ge  Ge30  1  0.75000000  0.72706900  0.78385700  1.0
  Ge  Ge31  1  0.75000000  0.37124400  0.00303600  1.0
  Ge  Ge32  1  0.25000000  0.37832300  0.50149800  1.0
  Ge  Ge33  1  0.25000000  0.62875600  0.99696400  1.0
  Ge  Ge34  1  0.75000000  0.47727700  0.28354700  1.0
  Ge  Ge35  1  0.25000000  0.87124400  0.49696400  1.0
  Pt  Pt36  1  0.25000000  0.62090500  0.44962600  1.0
  Pt  Pt37  1  0.25000000  0.62228300  0.81272800  1.0
  Pt  Pt38  1  0.25000000  0.87771700  0.31272800  1.0
  Pt  Pt39  1  0.75000000  0.12228300  0.68727200  1.0
  Pt  Pt40  1  0.25000000  0.12615900  0.81262900  1.0
  Pt  Pt41  1  0.75000000  0.62925600  0.04487900  1.0
  Pt  Pt42  1  0.25000000  0.37074400  0.95512100  1.0
  Pt  Pt43  1  0.25000000  0.37384100  0.31262900  1.0
  Pt  Pt44  1  0.75000000  0.62615900  0.68737100  1.0
  Pt  Pt45  1  0.25000000  0.87909500  0.94962600  1.0
  Pt  Pt46  1  0.75000000  0.37909500  0.55037400  1.0
  Pt  Pt47  1  0.25000000  0.12925600  0.45512100  1.0
  Pt  Pt48  1  0.75000000  0.87384100  0.18737100  1.0
  Pt  Pt49  1  0.75000000  0.12090500  0.05037400  1.0
  Pt  Pt50  1  0.75000000  0.87074400  0.54487900  1.0
  Pt  Pt51  1  0.75000000  0.37771700  0.18727200  1.0

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