Tm4Al13Ga11Pt9
高熵材料 HEAMP-ID: mp-3293336 · Space group: P1 (#1)
Basic Information
Formula
Tm4Al13Ga11Pt9
MP-ID
mp-3293336
Elements
4
Sites
37
Density
9.5132
g/cm³
Volume
619.52
ų
Cell a
7.4503
Å
Cell b
7.4379
Å
Cell c
13.1568
Å
α Angle
84.58
°
β Angle
100.82
°
γ Angle
120.11
°
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 |
|---|---|---|---|
| 6.84 | 12.9229 | 25.2 | (0,0,1) |
| 13.70 | 6.4615 | 9.0 | (0,0,2) |
| 13.92 | 6.3635 | 2.1 | (1,-1,0) |
| 13.93 | 6.3591 | 11.7 | (1,0,0) |
| 14.48 | 6.1189 | 6.9 | (1,-1,-1) |
| 16.51 | 5.3696 | 1.5 | (1,0,1) |
| 20.62 | 4.3076 | 50.7 | (0,0,3) |
| 24.00 | 3.7077 | 59.6 | (2,-1,-1) |
| 24.04 | 3.7020 | 64.1 | (1,-2,0) |
| 24.06 | 3.6994 | 62.7 | (1,1,0) |
| 24.87 | 3.5801 | 1.7 | (0,1,3) |
| 26.54 | 3.3591 | 13.6 | (2,-1,1) |
| 26.59 | 3.3529 | 13.8 | (1,-2,-2) |
| 26.61 | 3.3501 | 13.1 | (1,1,-2) |
| 27.61 | 3.2307 | 11.2 | (0,0,4) |
| 27.76 | 3.2138 | 3.2 | (2,-2,-1) |
| 27.78 | 3.2113 | 7.4 | (2,0,-1) |
| 28.04 | 3.1818 | 6.5 | (2,-2,0) |
| 28.59 | 3.1222 | 1.2 | (0,2,1) |
| 28.59 | 3.1218 | 3.6 | (0,2,-1) |
| 28.90 | 3.0895 | 74.0 | (2,-1,-3) |
| 28.92 | 3.0878 | 68.7 | (1,-2,2) |
| 28.92 | 3.0870 | 70.1 | (1,1,2) |
| 29.21 | 3.0570 | 4.8 | (2,0,-2) |
Energy Properties
Formation Energy/atom
-0.91668
eV/atom
Energy/atom
-23.00482
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.0048
eV/atom
Volume/atom
16.74
ų
c/a Ratio
1.7660
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
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 · 0.351
Element Family
PostTransition-Noble
Solute Fraction
0.649
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3125
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.9121
J/mol·K
Ω Parameter
0.5496
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.077%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3185
smaller = more stable mixing
VEC
5.784
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-22.061
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9468
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293336
Reference Citation
The crystal structure and related material properties of Tm4Al13Ga11Pt9 were obtained from the Materials Project database (MP-ID: mp-3293336, 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_Tm4Al13Ga11Pt9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45026185
_cell_length_b 7.43792477
_cell_length_c 13.15678874
_cell_angle_alpha 84.58119882
_cell_angle_beta 100.81966760
_cell_angle_gamma 120.10534540
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm4Al13Ga11Pt9
_chemical_formula_sum 'Tm4 Al13 Ga11 Pt9'
_cell_volume 619.51506979
_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
Tm Tm0 1 0.73524900 0.00326963 0.19157263 1.0
Tm Tm1 1 0.26472276 0.99894852 0.80791169 1.0
Tm Tm2 1 0.06239934 0.66220569 0.18961890 1.0
Tm Tm3 1 0.93959501 0.33788946 0.80986813 1.0
Al Al4 1 0.77029480 0.66041022 0.32960477 1.0
Al Al5 1 0.85249470 0.33158813 0.55833197 1.0
Al Al6 1 0.18564916 0.99884057 0.55800950 1.0
Al Al7 1 0.81303504 0.99962817 0.44104417 1.0
Al Al8 1 0.35210309 0.00054374 0.05470675 1.0
Al Al9 1 0.64869143 0.00079045 0.94530487 1.0
Al Al10 1 0.55671678 0.99475086 0.67093931 1.0
Al Al11 1 0.44272804 0.00476537 0.32905460 1.0
Al Al12 1 0.51865709 0.66573542 0.56002390 1.0
Al Al13 1 0.47948033 0.33223562 0.44021003 1.0
Al Al14 1 0.68579239 0.66771038 0.05139057 1.0
Al Al15 1 0.31691796 0.33490169 0.94947954 1.0
Al Al16 1 0.14626660 0.66756614 0.44103341 1.0
Ga Ga17 1 0.80484709 0.87364150 0.81533397 1.0
Ga Ga18 1 0.19403491 0.12557503 0.18425447 1.0
Ga Ga19 1 0.98267961 0.66792107 0.93962464 1.0
Ga Ga20 1 0.01878653 0.33285391 0.06029914 1.0
Ga Ga21 1 0.40105262 0.66689548 0.81646765 1.0
Ga Ga22 1 0.59987951 0.33575933 0.18366575 1.0
Ga Ga23 1 0.88560892 0.66606552 0.67191204 1.0
Ga Ga24 1 0.11393665 0.33319855 0.32826660 1.0
Ga Ga25 1 0.60089693 0.45833043 0.81559455 1.0
Ga Ga26 1 0.40145047 0.54265020 0.18459918 1.0
Ga Ga27 1 0.22817350 0.33695971 0.67390142 1.0
Pt Pt28 1 0.33577012 0.67360010 0.00117841 1.0
Pt Pt29 1 0.54520805 0.32322316 0.63546295 1.0
Pt Pt30 1 0.45616409 0.67554475 0.36449147 1.0
Pt Pt31 1 0.88173901 0.00565859 0.63574893 1.0
Pt Pt32 1 0.11315030 0.98985293 0.36291146 1.0
Pt Pt33 1 0.66552989 0.32760255 0.99923293 1.0
Pt Pt34 1 0.20766109 0.66902169 0.63607874 1.0
Pt Pt35 1 0.79190763 0.33300352 0.36348771 1.0
Pt Pt36 1 0.00073054 0.00086092 0.99937626 1.0
