Ba2SrNp
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1064865 · Space group: Fm-3m (#225)
Basic Information
Formula
Ba2SrNp
MP-ID
mp-1064865
Elements
3
Sites
4
Density
4.9057
g/cm³
Volume
202.85
ų
Cell a
6.5952
Å
Cell b
6.5952
Å
Cell c
6.5952
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 17)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.46 | 5.3850 | 12.1 | (1,1,1) |
| 27.04 | 3.2976 | 100.0 | (2,1,1) |
| 31.82 | 2.8122 | 7.8 | (2,2,1) |
| 38.61 | 2.3318 | 19.5 | (2,2,0) |
| 42.23 | 2.1398 | 3.7 | (3,2,2) |
| 47.77 | 1.9039 | 42.5 | (3,3,2) |
| 50.87 | 1.7950 | 3.0 | (3,3,3) |
| 55.75 | 1.6488 | 13.5 | (4,2,2) |
| 58.55 | 1.5766 | 3.0 | (4,3,2) |
| 63.03 | 1.4747 | 18.7 | (4,3,1) |
| 65.64 | 1.4224 | 1.1 | (4,4,3) |
| 69.87 | 1.3463 | 4.6 | (4,4,4) |
| 72.35 | 1.3061 | 1.6 | (5,3,3) |
| 76.42 | 1.2464 | 21.7 | (5,4,3) |
| 78.82 | 1.2143 | 2.0 | (5,4,4) |
| 82.79 | 1.1659 | 2.2 | (4,4,0) |
| 89.07 | 1.0992 | 11.5 | (5,5,2) |
Energy Properties
Formation Energy/atom
0.66393
eV/atom
Energy/atom
-3.95560
eV/atom
Energy above Hull
0.6651
eV/atom
Uncorrected Energy
-3.9556
eV/atom
Volume/atom
50.71
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
5.1058
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.025170
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ba · 0.500
Element Family
Alkali-AlkEarth
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.122%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1964
smaller = more stable mixing
VEC
2.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.229
Family
Ba-rich Multi-Component
Matrix Element
Ba · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1064865
Reference Citation
The crystal structure and related material properties of Ba2SrNp were obtained from the Materials Project database (MP-ID: mp-1064865, 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_Ba2SrNp
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59524152
_cell_length_b 6.59524152
_cell_length_c 6.59524152
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2SrNp
_chemical_formula_sum 'Ba2 Sr1 Np1'
_cell_volume 202.85098182
_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
Ba Ba0 1 0.75000000 0.75000000 0.75000000 1.0
Ba Ba1 1 0.25000000 0.25000000 0.25000000 1.0
Sr Sr2 1 0.50000000 0.50000000 0.50000000 1.0
Np Np3 1 0.00000000 0.00000000 0.00000000 1.0
