Dy7Er3(Sn3P)2

High-Entropy Materials HEA

MP-ID: mp-3292583 · Space group: P312 (#149)

Materials Project API

Basic Information

Formula

Dy7Er3(Sn3P)2

MP-ID

mp-3292583

Elements

Sites

Density

8.4834

g/cm³

Volume

472.41

Å³

Cell a

8.9852

Cell b

8.9852

Cell c

6.7567

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P312

Point Group

Crystal System

Trigonal

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
19.76	4.4926	1.6	(2,-1,-1,0)
22.86	3.8907	1.3	(2,0,-2,0)
26.38	3.3783	14.2	(0,0,0,2)
28.81	3.0989	16.4	(1,0,-1,2)
30.39	2.9411	28.9	(3,-1,-2,0)
33.18	2.7001	86.1	(2,-1,-1,2)
33.22	2.6967	100.0	(3,-1,-2,1)
34.58	2.5938	37.3	(3,0,-3,0)
35.18	2.5509	5.5	(2,0,-2,2)
40.14	2.2463	1.9	(4,-2,-2,0)
40.67	2.2183	1.2	(3,-1,-2,2)
41.86	2.1582	2.4	(4,-1,-3,0)
42.40	2.1316	6.0	(4,-2,-2,1)
44.05	2.0559	4.4	(3,1,-4,1)
44.05	2.0559	4.4	(4,-1,-3,1)
46.69	1.9454	2.7	(4,0,-4,0)
48.68	1.8706	19.8	(4,-2,-2,2)
50.16	1.8187	1.4	(4,-1,-3,2)
51.08	1.7882	30.1	(3,-1,-2,3)
53.06	1.7260	8.5	(5,-2,-3,1)
54.00	1.6981	4.3	(1,4,-5,0)
54.00	1.6981	8.5	(5,-1,-4,0)
54.31	1.6892	12.1	(0,0,0,4)
54.43	1.6858	9.4	(4,0,-4,2)

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Energy Properties

Formation Energy/atom

-1.09593

eV/atom

Energy/atom

-28.43649

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.4365

eV/atom

Volume/atom

26.25

Å³

c/a Ratio

0.7520

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.389

Element Family

Lanthanide

Solute Fraction

0.611

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2763

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6108

J/mol·K

Ω Parameter

2.7732

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.974%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3989

smaller = more stable mixing

VEC

7.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.428

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfirv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292583

Reference Citation

The crystal structure and related material properties of Dy7Er3(Sn3P)2 were obtained from the Materials Project database (MP-ID: mp-3292583, 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_Dy7Er3(Sn3P)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98522575
_cell_length_b   8.98522625
_cell_length_c   6.75667620
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999459
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy7Er3(Sn3P)2
_chemical_formula_sum   'Dy7 Er3 Sn6 P2'
_cell_volume   472.41292636
_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  0.66666700  0.33333300  0.00000000  1.0
  Dy  Dy1  1  0.76071453  0.76081174  0.74974753  1.0
  Dy  Dy2  1  0.23918826  0.99990379  0.74974753  1.0
  Dy  Dy3  1  0.00009621  0.23928547  0.74974753  1.0
  Dy  Dy4  1  0.23918826  0.23928547  0.25025247  1.0
  Dy  Dy5  1  0.76071453  0.99990379  0.25025247  1.0
  Dy  Dy6  1  0.00009621  0.76081174  0.25025247  1.0
  Er  Er7  1  0.33333300  0.66666700  0.00000000  1.0
  Er  Er8  1  0.33333300  0.66666700  0.50000000  1.0
  Er  Er9  1  0.66666700  0.33333300  0.50000000  1.0
  Sn  Sn10  1  0.40132611  0.40203758  0.74871475  1.0
  Sn  Sn11  1  0.59796242  0.99928853  0.74871475  1.0
  Sn  Sn12  1  0.00071147  0.59867389  0.74871475  1.0
  Sn  Sn13  1  0.59796242  0.59867389  0.25128525  1.0
  Sn  Sn14  1  0.40132611  0.99928853  0.25128525  1.0
  Sn  Sn15  1  0.00071147  0.40203758  0.25128525  1.0
  P  P16  1  0.00000000  0.00000000  0.00000000  1.0
  P  P17  1  0.00000000  0.00000000  0.50000000  1.0

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