Pr3Ga10Ni
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-632810 · Space group: Pmmm (#47)
Basic Information
Formula
Pr3Ga10Ni
MP-ID
mp-632810
Elements
3
Sites
14
Density
7.0653
g/cm³
Volume
277.01
ų
Cell a
4.2571
Å
Cell b
4.2777
Å
Cell c
15.2116
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 5.81 | 15.2116 | 2.7 | (0,0,1) |
| 17.49 | 5.0705 | 1.7 | (0,0,3) |
| 21.58 | 4.1180 | 1.4 | (0,1,1) |
| 21.68 | 4.0996 | 2.5 | (1,0,1) |
| 23.39 | 3.8029 | 2.5 | (0,0,4) |
| 23.95 | 3.7148 | 2.9 | (1,0,2) |
| 27.35 | 3.2604 | 4.7 | (1,0,3) |
| 31.48 | 2.8422 | 42.9 | (0,1,4) |
| 31.55 | 2.8361 | 6.3 | (1,0,4) |
| 31.91 | 2.8048 | 100.0 | (1,1,2) |
| 34.59 | 2.5931 | 6.6 | (1,1,3) |
| 35.41 | 2.5353 | 2.2 | (0,0,6) |
| 36.23 | 2.4792 | 4.6 | (0,1,5) |
| 36.29 | 2.4752 | 4.3 | (1,0,5) |
| 38.07 | 2.3638 | 10.6 | (1,1,4) |
| 41.40 | 2.1810 | 1.6 | (0,1,6) |
| 41.45 | 2.1783 | 26.2 | (1,0,6) |
| 41.56 | 2.1731 | 2.8 | (0,0,7) |
| 42.18 | 2.1424 | 16.9 | (1,1,5) |
| 42.25 | 2.1389 | 31.6 | (0,2,0) |
| 42.47 | 2.1286 | 31.1 | (2,0,0) |
| 46.80 | 1.9411 | 7.1 | (1,1,6) |
| 46.94 | 1.9355 | 6.4 | (1,0,7) |
| 51.07 | 1.7884 | 1.6 | (1,2,3) |
Energy Properties
Formation Energy/atom
-0.55329
eV/atom
Energy/atom
-4.15669
eV/atom
Energy above Hull
0.0012
eV/atom
Uncorrected Energy
-15.9749
eV/atom
Volume/atom
19.79
ų
c/a Ratio
3.5732
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.714
Element Family
PostTransition-Noble
Solute Fraction
0.286
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7589
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.3098
J/mol·K
Ω Parameter
0.9254
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.568%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2839
smaller = more stable mixing
VEC
3.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.082
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6908
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.608
Family
Ga-rich Multi-Component
Matrix Element
Ga · 0.714
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-632810
Reference Citation
The crystal structure and related material properties of Pr3Ga10Ni were obtained from the Materials Project database (MP-ID: mp-632810, 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_Pr3Ga10Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25712952
_cell_length_b 4.27769287
_cell_length_c 15.21160666
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr3Ga10Ni
_chemical_formula_sum 'Pr3 Ga10 Ni1'
_cell_volume 277.01389275
_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 0.50000000 0.00000000 0.50000000 1.0
Pr Pr1 1 -0.00000000 0.00000000 0.24808045 1.0
Pr Pr2 1 -0.00000000 0.00000000 0.75191955 1.0
Ga Ga3 1 0.50000000 0.50000000 0.18248751 1.0
Ga Ga4 1 0.50000000 0.50000000 0.81751249 1.0
Ga Ga5 1 0.50000000 0.50000000 0.34164623 1.0
Ga Ga6 1 0.50000000 0.50000000 0.65835377 1.0
Ga Ga7 1 -0.00000000 0.50000000 0.41928628 1.0
Ga Ga8 1 -0.00000000 0.50000000 0.58071372 1.0
Ga Ga9 1 -0.00000000 0.50000000 0.08396051 1.0
Ga Ga10 1 -0.00000000 0.50000000 0.91603949 1.0
Ga Ga11 1 0.50000000 0.00000000 0.08382954 1.0
Ga Ga12 1 0.50000000 0.00000000 0.91617046 1.0
Ni Ni13 1 -0.00000000 0.00000000 -0.00000000 1.0
