Tb4Dy2Al7Pt16
High-Entropy Materials HEAMP-ID: mp-3292905 · Space group: Imm2 (#44)
Basic Information
Formula
Tb4Dy2Al7Pt16
MP-ID
mp-3292905
Elements
4
Sites
29
Density
14.1440
g/cm³
Volume
501.42
ų
Cell a
8.9164
Å
Cell b
8.9164
Å
Cell c
8.9198
Å
α Angle
59.99
°
β Angle
59.99
°
γ Angle
60.02
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 12.16 | 7.2812 | 7.5 | (0,0,1) |
| 12.16 | 7.2812 | 7.5 | (1,1,1) |
| 12.16 | 7.2808 | 7.5 | (1,0,0) |
| 12.16 | 7.2808 | 7.5 | (0,1,0) |
| 14.04 | 6.3069 | 11.4 | (1,0,1) |
| 14.04 | 6.3069 | 11.4 | (0,1,1) |
| 14.05 | 6.3028 | 10.5 | (1,1,0) |
| 24.45 | 3.6406 | 28.5 | (0,0,2) |
| 24.45 | 3.6406 | 28.5 | (2,2,2) |
| 24.45 | 3.6404 | 28.5 | (2,0,0) |
| 24.45 | 3.6404 | 28.5 | (0,2,0) |
| 28.30 | 3.1535 | 61.3 | (2,0,2) |
| 28.30 | 3.1535 | 61.3 | (0,2,2) |
| 28.32 | 3.1514 | 61.6 | (2,2,0) |
| 31.72 | 2.8207 | 5.3 | (2,1,3) |
| 31.72 | 2.8207 | 5.3 | (1,2,3) |
| 31.73 | 2.8205 | 5.3 | (2,-1,1) |
| 31.73 | 2.8205 | 5.3 | (1,-2,-1) |
| 31.73 | 2.8202 | 5.3 | (1,-1,-2) |
| 31.73 | 2.8202 | 5.3 | (3,1,2) |
| 31.73 | 2.8202 | 5.3 | (1,-1,2) |
| 31.73 | 2.8202 | 5.3 | (1,3,2) |
| 31.74 | 2.8191 | 5.2 | (2,1,-1) |
| 31.74 | 2.8191 | 5.2 | (3,2,1) |
Energy Properties
Formation Energy/atom
-1.24091
eV/atom
Energy/atom
-37.78565
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-37.7857
eV/atom
Volume/atom
17.29
ų
c/a Ratio
1.0004
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.5395
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001080
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.552
Element Family
5d-TM
Solute Fraction
0.448
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1289
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3855
J/mol·K
Ω Parameter
0.6624
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.622%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4689
smaller = more stable mixing
VEC
8.172
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-23.971
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8143
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292905
Reference Citation
The crystal structure and related material properties of Tb4Dy2Al7Pt16 were obtained from the Materials Project database (MP-ID: mp-3292905, 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_Tb4Dy2Al7Pt16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.91641605
_cell_length_b 8.91638938
_cell_length_c 8.91976209
_cell_angle_alpha 59.98759636
_cell_angle_beta 59.98763585
_cell_angle_gamma 60.01891471
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb4Dy2Al7Pt16
_chemical_formula_sum 'Tb4 Dy2 Al7 Pt16'
_cell_volume 501.41615975
_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
Tb Tb0 1 0.70979423 0.70979323 0.29024724 1.0
Tb Tb1 1 0.28981118 0.71018882 0.28987059 1.0
Tb Tb2 1 0.71018882 0.28981118 0.28987059 1.0
Tb Tb3 1 0.29020577 0.29020577 0.70983471 1.0
Dy Dy4 1 0.71046187 0.28953813 0.71054709 1.0
Dy Dy5 1 0.28953813 0.71046187 0.71054709 1.0
Al Al6 1 1.00000000 1.00000000 0.00028462 1.0
Al Al7 1 0.00000000 0.00000000 0.50058597 1.0
Al Al8 1 0.49981328 0.99970910 0.50040406 1.0
Al Al9 1 0.99971010 0.49981328 0.50040306 1.0
Al Al10 1 0.50000000 0.50000000 0.99968251 1.0
Al Al11 1 0.00028990 0.50018772 0.99992544 1.0
Al Al12 1 0.50018772 0.00028890 0.99992544 1.0
Pt Pt13 1 0.88092153 0.88092153 0.35695135 1.0
Pt Pt14 1 0.88097539 0.35668547 0.88066720 1.0
Pt Pt15 1 0.35668447 0.88097639 0.88066720 1.0
Pt Pt16 1 0.88141470 0.88141470 0.88066224 1.0
Pt Pt17 1 0.11858530 0.11858630 0.64349063 1.0
Pt Pt18 1 0.11902561 0.64331353 0.11832805 1.0
Pt Pt19 1 0.64331353 0.11902461 0.11832805 1.0
Pt Pt20 1 0.11907847 0.11907947 0.11879640 1.0
Pt Pt21 1 0.66345000 0.66344900 0.00979496 1.0
Pt Pt22 1 0.66332868 0.01041634 0.66343788 1.0
Pt Pt23 1 0.01041634 0.66332868 0.66343788 1.0
Pt Pt24 1 0.66278118 0.66278118 0.66334532 1.0
Pt Pt25 1 0.33721882 0.33721882 0.98890768 1.0
Pt Pt26 1 0.33667132 0.98958366 0.33718190 1.0
Pt Pt27 1 0.98958366 0.33667232 0.33718190 1.0
Pt Pt28 1 0.33655000 0.33654900 0.33669296 1.0
