Pr8Er12In13Sn3
High-Entropy Materials HEAMP-ID: mp-3293002 · Space group: P1 (#1)
Basic Information
Formula
Pr8Er12In13Sn3
MP-ID
mp-3293002
Elements
4
Sites
36
Density
7.8684
g/cm³
Volume
1,051.63
ų
Cell a
7.9839
Å
Cell b
8.3786
Å
Cell c
15.7210
Å
α Angle
89.99
°
β Angle
90.04
°
γ Angle
90.03
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
Yes
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 |
|---|---|---|---|
| 11.26 | 7.8605 | 17.5 | (0,0,2) |
| 11.97 | 7.3945 | 7.5 | (0,1,1) |
| 11.97 | 7.3936 | 7.9 | (0,1,-1) |
| 15.33 | 5.7817 | 9.9 | (1,-1,0) |
| 15.33 | 5.7782 | 10.0 | (1,1,0) |
| 19.06 | 4.6560 | 1.2 | (1,-1,2) |
| 19.07 | 4.6547 | 1.1 | (1,1,2) |
| 22.27 | 3.9919 | 4.1 | (2,0,0) |
| 23.98 | 3.7106 | 2.6 | (1,-2,0) |
| 23.99 | 3.7087 | 2.7 | (1,2,0) |
| 24.07 | 3.6972 | 1.2 | (0,2,2) |
| 24.07 | 3.6968 | 1.3 | (0,2,-2) |
| 24.65 | 3.6117 | 2.7 | (1,-2,-1) |
| 24.65 | 3.6109 | 2.7 | (1,-2,1) |
| 24.66 | 3.6098 | 2.7 | (1,2,-1) |
| 24.67 | 3.6094 | 2.9 | (1,2,1) |
| 24.70 | 3.6047 | 4.3 | (2,-1,0) |
| 24.71 | 3.6030 | 4.1 | (2,1,0) |
| 25.01 | 3.5604 | 2.2 | (2,0,-2) |
| 25.03 | 3.5582 | 2.2 | (2,0,2) |
| 25.35 | 3.5141 | 4.6 | (2,-1,-1) |
| 25.35 | 3.5129 | 4.4 | (2,-1,1) |
| 25.36 | 3.5124 | 4.2 | (2,1,-1) |
| 25.36 | 3.5114 | 4.4 | (2,1,1) |
Energy Properties
Formation Energy/atom
-0.67216
eV/atom
Energy/atom
-28.73042
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.7304
eV/atom
Volume/atom
29.21
ų
c/a Ratio
1.9691
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0031
μB
Mag. Ordering
NM
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
In · 0.361
Element Family
PostTransition-Noble
Solute Fraction
0.639
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2753
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.6031
J/mol·K
Ω Parameter
93.9345
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
5.388%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3131
smaller = more stable mixing
VEC
6.083
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.120
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9200
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293002
Reference Citation
The crystal structure and related material properties of Pr8Er12In13Sn3 were obtained from the Materials Project database (MP-ID: mp-3293002, 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_Pr8Er12In13Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98387771
_cell_length_b 8.37859574
_cell_length_c 15.72097090
_cell_angle_alpha 89.99176775
_cell_angle_beta 90.04396614
_cell_angle_gamma 90.03470103
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr8Er12In13Sn3
_chemical_formula_sum 'Pr8 Er12 In13 Sn3'
_cell_volume 1051.63314302
_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 0.49134156 0.31497799 0.90631191 1.0
Pr Pr1 1 0.98985299 0.18415800 0.59311296 1.0
Pr Pr2 1 0.50882805 0.68388244 0.40678037 1.0
Pr Pr3 1 0.00940901 0.81949739 0.09380217 1.0
Pr Pr4 1 0.50832206 0.68132428 0.09384947 1.0
Pr Pr5 1 0.00677039 0.81784417 0.40542404 1.0
Pr Pr6 1 0.49255099 0.31810169 0.59436003 1.0
Pr Pr7 1 0.99159367 0.18228427 0.90553467 1.0
Er Er8 1 0.32898356 0.83341844 0.87468443 1.0
Er Er9 1 0.82708777 0.66729991 0.62497739 1.0
Er Er10 1 0.67213444 0.16713397 0.37503913 1.0
Er Er11 1 0.17285796 0.33035325 0.12555168 1.0
Er Er12 1 0.66900791 0.16941674 0.12522819 1.0
Er Er13 1 0.16802661 0.33064841 0.37507032 1.0
Er Er14 1 0.33115409 0.83028877 0.62480441 1.0
Er Er15 1 0.83131050 0.67019510 0.87502308 1.0
Er Er16 1 0.16387030 0.49759949 0.74985960 1.0
Er Er17 1 0.66356401 0.00166605 0.75125945 1.0
Er Er18 1 0.83623214 0.50178367 0.24911630 1.0
Er Er19 1 0.33531135 0.99778193 0.24962007 1.0
In In20 1 0.33390650 0.03634473 0.04155224 1.0
In In21 1 0.82980709 0.46388645 0.45754047 1.0
In In22 1 0.66893988 0.96323331 0.54243579 1.0
In In23 1 0.17016953 0.53651983 0.95837639 1.0
In In24 1 0.66778002 0.96391568 0.95951436 1.0
In In25 1 0.52874816 0.61509398 0.75229583 1.0
In In26 1 0.02909708 0.88459083 0.74684466 1.0
In In27 1 0.47094436 0.38464832 0.25315785 1.0
In In28 1 0.97017460 0.11537932 0.24869104 1.0
In In29 1 0.28636687 0.13324902 0.74842653 1.0
In In30 1 0.78699252 0.36744605 0.74969217 1.0
In In31 1 0.71245951 0.86655607 0.25036653 1.0
In In32 1 0.21269304 0.63281742 0.25058199 1.0
Sn Sn33 1 0.16655781 0.53616829 0.54097757 1.0
Sn Sn34 1 0.33267658 0.03625414 0.45876745 1.0
Sn Sn35 1 0.83447808 0.46424162 0.04137144 1.0
