Nd5Sn15(Ir3Pt)2

高熵材料 HEA

MP-ID: mp-3295049 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Nd5Sn15(Ir3Pt)2

MP-ID

mp-3295049

Elements

Sites

Density

10.9362

g/cm³

Volume

614.24

Å³

Cell a

4.4869

Cell b

7.3360

Cell c

18.6611

α Angle

89.82

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
15.34	5.7756	4.2	(0,1,2)
15.39	5.7584	3.3	(0,1,-2)
18.67	4.7516	3.5	(0,1,3)
18.73	4.7372	2.9	(0,1,-3)
19.02	4.6652	19.4	(0,0,4)
22.55	3.9421	5.6	(0,1,4)
22.62	3.9312	6.1	(0,1,-4)
23.24	3.8277	7.4	(1,1,0)
23.72	3.7508	4.9	(1,1,1)
23.74	3.7484	5.0	(1,1,-1)
25.13	3.5433	2.6	(1,1,2)
25.16	3.5393	3.8	(1,1,-2)
26.08	3.4173	5.2	(0,2,2)
26.13	3.4101	8.2	(0,2,-2)
26.77	3.3306	4.9	(0,1,5)
26.83	3.3223	4.9	(0,1,-5)
27.58	3.2339	3.0	(1,0,4)
28.21	3.1638	2.8	(0,2,3)
28.28	3.1553	3.3	(0,2,-3)
28.70	3.1102	5.4	(0,0,6)
30.23	2.9568	2.1	(1,1,-4)
30.97	2.8878	3.2	(0,2,4)
31.06	2.8792	6.2	(0,2,-4)
31.20	2.8666	1.7	(0,1,6)

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Energy Properties

Formation Energy/atom

-0.69530

eV/atom

Energy/atom

-34.10296

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.1030

eV/atom

Volume/atom

21.94

Å³

c/a Ratio

4.1590

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0009

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

Sn · 0.536

Element Family

PostTransition-Noble

Solute Fraction

0.464

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1606

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6493

J/mol·K

Ω Parameter

0.5531

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.558%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3668

smaller = more stable mixing

VEC

5.321

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-21.544

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8372

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmir

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295049

Reference Citation

The crystal structure and related material properties of Nd5Sn15(Ir3Pt)2 were obtained from the Materials Project database (MP-ID: mp-3295049, 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_Nd5Sn15(Ir3Pt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48686829
_cell_length_b   7.33602100
_cell_length_c   18.66106168
_cell_angle_alpha   89.82374937
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5Sn15(Ir3Pt)2
_chemical_formula_sum   'Nd5 Sn15 Ir6 Pt2'
_cell_volume   614.24012114
_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
  Nd  Nd0  1  0.50000000  0.00554694  0.85353221  1.0
  Nd  Nd1  1  0.50000000  0.49549853  0.35950746  1.0
  Nd  Nd2  1  0.00000000  0.99719383  0.14611990  1.0
  Nd  Nd3  1  0.00000000  0.50333993  0.63977326  1.0
  Nd  Nd4  1  0.50000000  0.49324653  0.92931233  1.0
  Sn  Sn5  1  0.00000000  0.72058865  0.80236533  1.0
  Sn  Sn6  1  0.00000000  0.77674155  0.30778626  1.0
  Sn  Sn7  1  0.50000000  0.27540186  0.19653120  1.0
  Sn  Sn8  1  0.50000000  0.22181538  0.69083395  1.0
  Sn  Sn9  1  0.00000000  0.85235246  0.96789522  1.0
  Sn  Sn10  1  0.00000000  0.63151158  0.46734959  1.0
  Sn  Sn11  1  0.50000000  0.13263457  0.03402233  1.0
  Sn  Sn12  1  0.50000000  0.36835808  0.53175309  1.0
  Sn  Sn13  1  0.00000000  0.30672399  0.81444579  1.0
  Sn  Sn14  1  0.00000000  0.19572344  0.31977733  1.0
  Sn  Sn15  1  0.50000000  0.69602987  0.18991295  1.0
  Sn  Sn16  1  0.50000000  0.80890686  0.67724368  1.0
  Sn  Sn17  1  0.50000000  0.02477842  0.43430359  1.0
  Sn  Sn18  1  0.00000000  0.51583162  0.06941233  1.0
  Sn  Sn19  1  0.00000000  0.97762444  0.56658537  1.0
  Ir  Ir20  1  0.00000000  0.24994717  0.46535363  1.0
  Ir  Ir21  1  0.50000000  0.75132251  0.53260735  1.0
  Ir  Ir22  1  0.00000000  0.01996998  0.71486129  1.0
  Ir  Ir23  1  0.00000000  0.48064809  0.21481017  1.0
  Ir  Ir24  1  0.50000000  0.98420925  0.28879946  1.0
  Ir  Ir25  1  0.50000000  0.52244692  0.77330187  1.0
  Pt  Pt26  1  0.00000000  0.23028756  0.96458864  1.0
  Pt  Pt27  1  0.50000000  0.76131898  0.04721642  1.0

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