Pr5(Sn5Pt2)2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3293378 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Pr5(Sn5Pt2)2

MP-ID

mp-3293378

Elements

Sites

Density

9.3659

g/cm³

Volume

947.46

Å³

Cell a

14.1780

Cell b

14.1780

Cell c

4.7134

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

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
8.82	10.0253	5.7	(1,1,0)
13.97	6.3406	10.7	(2,1,0)
17.69	5.0127	25.6	(2,2,0)
18.83	4.7134	22.4	(0,0,1)
22.61	3.9323	2.3	(3,2,0)
23.52	3.7827	2.7	(2,1,1)
25.12	3.5445	11.9	(4,0,0)
25.95	3.4338	6.5	(2,2,1)
26.68	3.3418	10.1	(3,3,0)
27.46	3.2485	11.4	(3,1,1)
29.58	3.0195	44.0	(3,2,1)
31.55	2.8356	3.0	(4,3,0)
31.58	2.8329	56.0	(4,0,1)
32.19	2.7805	52.7	(5,1,0)
32.22	2.7780	68.5	(4,1,1)
32.85	2.7261	100.0	(3,3,1)
34.08	2.6306	44.3	(4,2,1)
35.83	2.5063	5.8	(4,4,0)
37.00	2.4298	1.6	(4,3,1)
37.56	2.3949	3.3	(5,1,1)
38.08	2.3630	5.8	(6,0,0)
38.19	2.3567	83.4	(0,0,2)
38.63	2.3308	41.9	(6,1,0)
39.19	2.2985	2.7	(5,2,1)

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Energy Properties

Formation Energy/atom

-0.86186

eV/atom

Energy/atom

-32.46357

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.4636

eV/atom

Volume/atom

24.93

Å³

c/a Ratio

0.3324

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

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.526

Element Family

PostTransition-Noble

Solute Fraction

0.474

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0172

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4567

J/mol·K

Ω Parameter

2.2534

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.879%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4243

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.803

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9259

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjwk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293378

Reference Citation

The crystal structure and related material properties of Pr5(Sn5Pt2)2 were obtained from the Materials Project database (MP-ID: mp-3293378, 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_Pr5(Sn5Pt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.17796322
_cell_length_b   14.17796322
_cell_length_c   4.71339293
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr5(Sn5Pt2)2
_chemical_formula_sum   'Pr10 Sn20 Pt8'
_cell_volume   947.46098861
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.50000000  0.50000000  0.00000000  1.0
  Pr  Pr1  1  0.00000000  0.00000000  0.00000000  1.0
  Pr  Pr2  1  0.67939435  0.17939435  0.50000000  1.0
  Pr  Pr3  1  0.32060565  0.82060565  0.50000000  1.0
  Pr  Pr4  1  0.17939435  0.32060565  0.50000000  1.0
  Pr  Pr5  1  0.82060565  0.67939435  0.50000000  1.0
  Pr  Pr6  1  0.89196173  0.39196173  0.50000000  1.0
  Pr  Pr7  1  0.10803827  0.60803827  0.50000000  1.0
  Pr  Pr8  1  0.39196173  0.10803827  0.50000000  1.0
  Pr  Pr9  1  0.60803827  0.89196173  0.50000000  1.0
  Sn  Sn10  1  0.57034877  0.07034877  0.00000000  1.0
  Sn  Sn11  1  0.42965123  0.92965123  0.00000000  1.0
  Sn  Sn12  1  0.07034877  0.42965123  0.00000000  1.0
  Sn  Sn13  1  0.92965123  0.57034877  0.00000000  1.0
  Sn  Sn14  1  0.65263382  0.70390188  0.00000000  1.0
  Sn  Sn15  1  0.34736618  0.29609812  0.00000000  1.0
  Sn  Sn16  1  0.15263382  0.79609812  0.00000000  1.0
  Sn  Sn17  1  0.84736618  0.20390188  0.00000000  1.0
  Sn  Sn18  1  0.29609812  0.65263382  0.00000000  1.0
  Sn  Sn19  1  0.70390188  0.34736618  0.00000000  1.0
  Sn  Sn20  1  0.20390188  0.15263382  0.00000000  1.0
  Sn  Sn21  1  0.79609812  0.84736618  0.00000000  1.0
  Sn  Sn22  1  0.66187926  0.50062712  0.50000000  1.0
  Sn  Sn23  1  0.33812074  0.49937288  0.50000000  1.0
  Sn  Sn24  1  0.16187926  0.99937288  0.50000000  1.0
  Sn  Sn25  1  0.83812074  0.00062712  0.50000000  1.0
  Sn  Sn26  1  0.49937288  0.66187926  0.50000000  1.0
  Sn  Sn27  1  0.50062712  0.33812074  0.50000000  1.0
  Sn  Sn28  1  0.00062712  0.16187926  0.50000000  1.0
  Sn  Sn29  1  0.99937288  0.83812074  0.50000000  1.0
  Pt  Pt30  1  0.74217198  0.53308326  0.00000000  1.0
  Pt  Pt31  1  0.25782802  0.46691674  0.00000000  1.0
  Pt  Pt32  1  0.24217198  0.96691674  0.00000000  1.0
  Pt  Pt33  1  0.75782802  0.03308326  0.00000000  1.0
  Pt  Pt34  1  0.46691674  0.74217198  0.00000000  1.0
  Pt  Pt35  1  0.53308326  0.25782802  0.00000000  1.0
  Pt  Pt36  1  0.03308326  0.24217198  0.00000000  1.0
  Pt  Pt37  1  0.96691674  0.75782802  0.00000000  1.0

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