Pr10Sn5BiN2

High-Entropy Materials HEA

MP-ID: mp-3296344 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Pr10Sn5BiN2

MP-ID

mp-3296344

Elements

Sites

Density

7.2671

g/cm³

Volume

511.76

Å³

Cell a

9.3355

Cell b

9.3355

Cell c

6.7835

α Angle

90.00

β Angle

90.00

γ Angle

120.04

Space Group

Amm2

Point Group

mm2

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
10.94	8.0866	1.1	(1,-1,0,0)
10.95	8.0812	2.3	(1,0,-1,0)
17.06	5.1971	1.3	(1,-1,0,1)
17.07	5.1956	2.3	(1,0,-1,1)
19.01	4.6678	1.4	(2,-1,-1,0)
19.03	4.6646	3.0	(1,1,-2,0)
22.00	4.0406	1.2	(2,0,-2,0)
23.13	3.8453	4.0	(2,-1,-1,1)
23.14	3.8436	2.4	(1,1,-2,1)
25.66	3.4714	1.4	(2,0,-2,1)
26.28	3.3917	39.7	(0,0,0,2)
28.54	3.1278	20.7	(1,-1,0,2)
28.54	3.1274	21.8	(1,0,-1,2)
29.22	3.0562	32.6	(3,-2,-1,0)
29.23	3.0553	21.0	(3,-1,-2,0)
29.24	3.0538	22.4	(2,1,-3,0)
32.12	2.7864	66.8	(3,-2,-1,1)
32.13	2.7858	88.7	(3,-1,-2,1)
32.14	2.7846	87.9	(2,1,-3,1)
32.64	2.7439	100.0	(2,-1,-1,2)
32.64	2.7432	41.3	(1,1,-2,2)
33.24	2.6955	19.3	(3,-3,0,0)
33.26	2.6937	32.7	(3,0,-3,0)
34.52	2.5985	8.0	(2,-2,0,2)

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Energy Properties

Formation Energy/atom

-1.05767

eV/atom

Energy/atom

-28.53158

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.5316

eV/atom

Volume/atom

28.43

Å³

c/a Ratio

0.7266

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.4332

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000850

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pr · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0871

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0379

J/mol·K

Ω Parameter

1.3521

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

21.110%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6312

smaller = more stable mixing

VEC

3.611

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.673

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7842

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfogm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296344

Reference Citation

The crystal structure and related material properties of Pr10Sn5BiN2 were obtained from the Materials Project database (MP-ID: mp-3296344, 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_Pr10Sn5BiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33552485
_cell_length_b   9.33552505
_cell_length_c   6.78346093
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.04448980
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr10Sn5BiN2
_chemical_formula_sum   'Pr10 Sn5 Bi1 N2'
_cell_volume   511.75792228
_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
  Pr  Pr0  1  0.67032863  0.33218515  0.00237487  1.0
  Pr  Pr1  1  0.33218515  0.67032863  0.00237487  1.0
  Pr  Pr2  1  0.33218515  0.67032863  0.49762513  1.0
  Pr  Pr3  1  0.67032863  0.33218515  0.49762513  1.0
  Pr  Pr4  1  0.78581959  0.78581959  0.75000000  1.0
  Pr  Pr5  1  0.21390141  0.99623132  0.75000000  1.0
  Pr  Pr6  1  0.99623132  0.21390141  0.75000000  1.0
  Pr  Pr7  1  0.21318132  0.21318132  0.25000000  1.0
  Pr  Pr8  1  0.78402502  0.99935186  0.25000000  1.0
  Pr  Pr9  1  0.99935186  0.78402502  0.25000000  1.0
  Sn  Sn10  1  0.59738309  0.99974622  0.75000000  1.0
  Sn  Sn11  1  0.99974622  0.59738309  0.75000000  1.0
  Sn  Sn12  1  0.59770444  0.59770444  0.25000000  1.0
  Sn  Sn13  1  0.40238705  0.00129185  0.25000000  1.0
  Sn  Sn14  1  0.00129185  0.40238705  0.25000000  1.0
  Bi  Bi15  1  0.40172076  0.40172076  0.75000000  1.0
  N  N16  1  0.00111525  0.00111525  0.99880197  1.0
  N  N17  1  0.00111525  0.00111525  0.50119803  1.0

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