Tb4MgAl19Pt12
高熵材料 HEAMP-ID: mp-3296181 · Space group: Pm (#6)
Basic Information
Formula
Tb4MgAl19Pt12
MP-ID
mp-3296181
Elements
4
Sites
36
Density
9.4861
g/cm³
Volume
615.07
ų
Cell a
4.0937
Å
Cell b
7.3299
Å
Cell c
20.4979
Å
α Angle
90.01
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 14.86 | 5.9624 | 1.0 | (0,1,-2) |
| 17.30 | 5.1245 | 4.4 | (0,0,4) |
| 17.75 | 4.9983 | 1.2 | (0,1,-3) |
| 17.75 | 4.9977 | 2.1 | (0,1,3) |
| 21.15 | 4.2001 | 2.7 | (0,1,-4) |
| 21.16 | 4.1996 | 1.8 | (0,1,4) |
| 23.40 | 3.8016 | 22.0 | (1,0,2) |
| 24.68 | 3.6078 | 6.9 | (0,2,-1) |
| 24.68 | 3.6077 | 7.6 | (0,2,1) |
| 26.08 | 3.4163 | 70.8 | (0,0,6) |
| 26.41 | 3.3748 | 18.5 | (1,1,-2) |
| 26.41 | 3.3747 | 16.2 | (1,1,2) |
| 27.62 | 3.2299 | 58.0 | (0,2,-3) |
| 27.62 | 3.2295 | 59.6 | (0,2,3) |
| 27.89 | 3.1984 | 100.0 | (1,0,4) |
| 28.18 | 3.1670 | 33.4 | (1,1,-3) |
| 28.18 | 3.1669 | 29.5 | (1,1,3) |
| 28.83 | 3.0967 | 9.6 | (0,1,-6) |
| 28.83 | 3.0964 | 8.9 | (0,1,6) |
| 30.49 | 2.9316 | 20.6 | (1,1,-4) |
| 30.49 | 2.9314 | 24.9 | (1,1,4) |
| 32.78 | 2.7325 | 8.2 | (0,2,-5) |
| 32.78 | 2.7321 | 9.5 | (0,2,5) |
| 32.94 | 2.7194 | 9.7 | (0,1,-7) |
Energy Properties
Formation Energy/atom
-1.11949
eV/atom
Energy/atom
-25.42054
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.4205
eV/atom
Volume/atom
17.09
ų
c/a Ratio
5.0073
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.528
Element Family
PostTransition-Noble
Solute Fraction
0.472
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0472
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7062
J/mol·K
Ω Parameter
0.3499
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.515%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3949
smaller = more stable mixing
VEC
5.972
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-34.331
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7554
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296181
Reference Citation
The crystal structure and related material properties of Tb4MgAl19Pt12 were obtained from the Materials Project database (MP-ID: mp-3296181, 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
Loading 3D structure…
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Raw CIF Data
# generated using pymatgen
data_Tb4MgAl19Pt12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09364947
_cell_length_b 7.32993992
_cell_length_c 20.49793191
_cell_angle_alpha 90.00732533
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb4MgAl19Pt12
_chemical_formula_sum 'Tb4 Mg1 Al19 Pt12'
_cell_volume 615.06513581
_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 0.25000000 0.11955984 0.63950629 1.0
Tb Tb1 1 0.75000000 0.88302466 0.35924216 1.0
Tb Tb2 1 0.25000000 0.38320807 0.13842224 1.0
Tb Tb3 1 0.75000000 0.61665761 0.86058221 1.0
Mg Mg4 1 0.75000000 0.35966194 0.38318953 1.0
Al Al5 1 0.75000000 0.88539910 0.98343511 1.0
Al Al6 1 0.75000000 0.68193975 0.20012893 1.0
Al Al7 1 0.25000000 0.86913473 0.49756047 1.0
Al Al8 1 0.25000000 0.63121545 0.99177670 1.0
Al Al9 1 0.25000000 0.31786054 0.79942751 1.0
Al Al10 1 0.75000000 0.06363606 0.20836915 1.0
Al Al11 1 0.25000000 0.63911817 0.61896323 1.0
Al Al12 1 0.25000000 0.56227501 0.29141803 1.0
Al Al13 1 0.25000000 0.18064781 0.29875099 1.0
Al Al14 1 0.75000000 0.14658809 0.88172627 1.0
Al Al15 1 0.25000000 0.93324856 0.79178545 1.0
Al Al16 1 0.75000000 0.36914719 0.00745131 1.0
Al Al17 1 0.75000000 0.62221033 0.48483298 1.0
Al Al18 1 0.75000000 0.12849560 0.50908582 1.0
Al Al19 1 0.25000000 0.11561130 0.01632655 1.0
Al Al20 1 0.25000000 0.85420385 0.11791412 1.0
Al Al21 1 0.25000000 0.38575150 0.51195805 1.0
Al Al22 1 0.75000000 0.43327251 0.70744689 1.0
Al Al23 1 0.75000000 0.81830132 0.70203216 1.0
Pt Pt24 1 0.75000000 0.37395672 0.25541801 1.0
Pt Pt25 1 0.25000000 0.87205589 0.24011413 1.0
Pt Pt26 1 0.25000000 0.62354146 0.74115565 1.0
Pt Pt27 1 0.75000000 0.12555284 0.75955701 1.0
Pt Pt28 1 0.25000000 0.14486543 0.42789690 1.0
Pt Pt29 1 0.75000000 0.41817727 0.58356589 1.0
Pt Pt30 1 0.75000000 0.08092694 0.08503521 1.0
Pt Pt31 1 0.25000000 0.91963137 0.91504631 1.0
Pt Pt32 1 0.75000000 0.83960131 0.57642054 1.0
Pt Pt33 1 0.25000000 0.34008647 0.92625097 1.0
Pt Pt34 1 0.75000000 0.65980869 0.07321707 1.0
Pt Pt35 1 0.25000000 0.60162460 0.41498916 1.0
