DyErTm3Sn4

高熵材料 HEA

MP-ID: mp-3296207 · Space group: P2_12_12_1 (#19)

Materials Project API

Basic Information

Formula

DyErTm3Sn4

MP-ID

mp-3296207

Elements

Sites

Density

8.9223

g/cm³

Volume

976.26

Å³

Cell a

7.9485

Cell b

8.0338

Cell c

15.2883

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P2_12_12_1

Point Group

222

Crystal System

Orthorhombic

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
11.58	7.6442	4.8	(0,0,2)
12.45	7.1117	1.2	(0,1,1)
15.68	5.6504	1.7	(1,1,0)
23.12	3.8464	1.0	(2,0,1)
25.00	3.5622	11.1	(2,1,0)
25.52	3.4904	7.8	(1,2,1)
25.68	3.4693	3.1	(2,1,1)
27.63	3.2288	12.7	(2,1,2)
28.48	3.1339	3.1	(2,0,3)
30.49	2.9322	100.0	(1,2,3)
30.62	2.9196	43.9	(2,1,3)
31.30	2.8577	2.9	(0,1,5)
31.67	2.8252	34.6	(2,2,0)
32.22	2.7781	11.1	(2,2,1)
32.33	2.7689	38.2	(0,2,4)
32.50	2.7549	26.3	(2,0,4)
33.32	2.6892	31.2	(1,1,5)
33.83	2.6500	2.6	(2,2,2)
33.99	2.6378	3.3	(0,3,1)
34.29	2.6148	17.0	(1,2,4)
34.42	2.6059	62.1	(2,1,4)
35.22	2.5481	26.7	(0,0,6)
35.37	2.5378	3.2	(1,3,0)
35.68	2.5162	36.8	(3,1,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.84395

eV/atom

Energy/atom

-30.87230

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.8723

eV/atom

Volume/atom

27.12

Å³

c/a Ratio

1.9234

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0769

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000080

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

HEA

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2149

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.1006

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.257%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3569

smaller = more stable mixing

VEC

8.556

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8764

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfobf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296207

Reference Citation

The crystal structure and related material properties of DyErTm3Sn4 were obtained from the Materials Project database (MP-ID: mp-3296207, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_DyErTm3Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94852633
_cell_length_b   8.03379263
_cell_length_c   15.28829824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyErTm3Sn4
_chemical_formula_sum   'Dy4 Er4 Tm12 Sn16'
_cell_volume   976.26199144
_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  0.47075597  0.67908775  0.09839014  1.0
  Dy  Dy1  1  0.97075597  0.82091225  0.40160986  1.0
  Dy  Dy2  1  0.52924403  0.32091225  0.59839014  1.0
  Dy  Dy3  1  0.02924403  0.17908775  0.90160986  1.0
  Er  Er4  1  0.53115172  0.32088719  0.90059719  1.0
  Er  Er5  1  0.03115172  0.17911281  0.59940281  1.0
  Er  Er6  1  0.46884828  0.67911281  0.40059719  1.0
  Er  Er7  1  0.96884828  0.82088719  0.09940281  1.0
  Tm  Tm8  1  0.37378358  0.83887186  0.87828291  1.0
  Tm  Tm9  1  0.87378358  0.66112814  0.62171709  1.0
  Tm  Tm10  1  0.62621642  0.16112814  0.37828291  1.0
  Tm  Tm11  1  0.12621642  0.33887186  0.12171709  1.0
  Tm  Tm12  1  0.62518554  0.16101279  0.12176625  1.0
  Tm  Tm13  1  0.12518554  0.33898721  0.37823375  1.0
  Tm  Tm14  1  0.37481446  0.83898721  0.62176625  1.0
  Tm  Tm15  1  0.87481446  0.66101279  0.87823375  1.0
  Tm  Tm16  1  0.20473182  0.50462504  0.74979449  1.0
  Tm  Tm17  1  0.70473182  0.99537496  0.75020551  1.0
  Tm  Tm18  1  0.79526818  0.49537496  0.24979449  1.0
  Tm  Tm19  1  0.29526818  0.00462504  0.25020551  1.0
  Sn  Sn20  1  0.28573199  0.03388258  0.04270461  1.0
  Sn  Sn21  1  0.78573199  0.46611742  0.45729539  1.0
  Sn  Sn22  1  0.71426801  0.96611742  0.54270461  1.0
  Sn  Sn23  1  0.21426801  0.53388258  0.95729539  1.0
  Sn  Sn24  1  0.71242834  0.96364890  0.95832943  1.0
  Sn  Sn25  1  0.21242834  0.53635110  0.54167057  1.0
  Sn  Sn26  1  0.28757166  0.03635110  0.45832943  1.0
  Sn  Sn27  1  0.78757166  0.46364890  0.04167057  1.0
  Sn  Sn28  1  0.57072380  0.62300730  0.75014261  1.0
  Sn  Sn29  1  0.07072380  0.87699270  0.74985739  1.0
  Sn  Sn30  1  0.42927620  0.37699270  0.25014261  1.0
  Sn  Sn31  1  0.92927620  0.12300730  0.24985739  1.0
  Sn  Sn32  1  0.33975719  0.14922042  0.75037804  1.0
  Sn  Sn33  1  0.83975719  0.35077958  0.74962196  1.0
  Sn  Sn34  1  0.66024281  0.85077958  0.25037804  1.0
  Sn  Sn35  1  0.16024281  0.64922042  0.24962196  1.0

Get direct link