Tm20Ga3Bi8Pt
High-Entropy Materials HEAMP-ID: mp-3293133 · Space group: Pm (#6)
Basic Information
Formula
Tm20Ga3Bi8Pt
MP-ID
mp-3293133
Elements
4
Sites
32
Density
10.4821
g/cm³
Volume
864.12
ų
Cell a
7.9618
Å
Cell b
9.1038
Å
Cell c
11.9221
Å
α Angle
90.00
°
β Angle
90.26
°
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 |
|---|---|---|---|
| 7.42 | 11.9219 | 2.1 | (0,0,1) |
| 9.72 | 9.1038 | 2.0 | (0,1,0) |
| 11.11 | 7.9617 | 1.6 | (1,0,0) |
| 12.23 | 7.2355 | 3.3 | (0,1,1) |
| 13.34 | 6.6349 | 3.8 | (1,0,-1) |
| 13.40 | 6.6071 | 3.3 | (1,0,1) |
| 14.78 | 5.9931 | 1.6 | (1,1,0) |
| 16.53 | 5.3620 | 1.1 | (1,1,-1) |
| 16.58 | 5.3473 | 2.3 | (1,1,1) |
| 17.79 | 4.9870 | 1.6 | (0,1,2) |
| 18.55 | 4.7822 | 2.3 | (1,0,-2) |
| 19.50 | 4.5519 | 1.4 | (0,2,0) |
| 22.33 | 3.9808 | 5.7 | (2,0,0) |
| 23.59 | 3.7708 | 2.4 | (2,0,1) |
| 25.00 | 3.5621 | 8.4 | (1,0,-3) |
| 25.09 | 3.5492 | 8.5 | (1,0,3) |
| 25.51 | 3.4919 | 1.9 | (2,1,-1) |
| 25.57 | 3.4837 | 2.6 | (2,1,1) |
| 27.04 | 3.2971 | 10.9 | (1,2,-2) |
| 27.10 | 3.2902 | 6.8 | (1,2,2) |
| 28.64 | 3.1170 | 3.8 | (2,1,-2) |
| 28.75 | 3.1054 | 1.5 | (2,1,2) |
| 29.98 | 2.9805 | 9.2 | (0,0,4) |
| 30.74 | 2.9085 | 100.0 | (2,2,-1) |
Energy Properties
Formation Energy/atom
-0.78114
eV/atom
Energy/atom
-40.03912
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.0391
eV/atom
Volume/atom
27.00
ų
c/a Ratio
1.4974
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
4.2387
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.004910
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tm · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9705
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.0691
J/mol·K
Ω Parameter
11.3860
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.891%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3660
smaller = more stable mixing
VEC
9.969
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.967
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7001
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293133
Reference Citation
The crystal structure and related material properties of Tm20Ga3Bi8Pt were obtained from the Materials Project database (MP-ID: mp-3293133, 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_Tm20Ga3Bi8Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.96174598
_cell_length_b 9.10377308
_cell_length_c 11.92205361
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.26055546
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm20Ga3Bi8Pt
_chemical_formula_sum 'Tm20 Ga3 Bi8 Pt1'
_cell_volume 864.12450461
_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 0.67842585 0.95664433 0.43614750 1.0
Tm Tm1 1 0.82039443 0.55546153 0.93600974 1.0
Tm Tm2 1 0.32297475 0.44207523 0.56317470 1.0
Tm Tm3 1 0.18164810 0.05482773 0.06386846 1.0
Tm Tm4 1 0.32297475 0.05792477 0.56317470 1.0
Tm Tm5 1 0.18164810 0.44517227 0.06386846 1.0
Tm Tm6 1 0.67842585 0.54335567 0.43614750 1.0
Tm Tm7 1 0.82039443 0.94453847 0.93600974 1.0
Tm Tm8 1 0.32804012 0.75000000 0.28338899 1.0
Tm Tm9 1 0.16385471 0.75000000 0.78788635 1.0
Tm Tm10 1 0.66468005 0.25000000 0.70924108 1.0
Tm Tm11 1 0.82996737 0.25000000 0.21376474 1.0
Tm Tm12 1 0.03626822 0.75000000 0.49712188 1.0
Tm Tm13 1 0.46364530 0.75000000 0.99672716 1.0
Tm Tm14 1 0.94852498 0.25000000 0.49917678 1.0
Tm Tm15 1 0.53890632 0.25000000 0.00010619 1.0
Tm Tm16 1 0.85926931 0.75000000 0.20409060 1.0
Tm Tm17 1 0.64232818 0.75000000 0.70455296 1.0
Tm Tm18 1 0.14035339 0.25000000 0.79962572 1.0
Tm Tm19 1 0.37256292 0.25000000 0.30070241 1.0
Ga Ga20 1 0.09632493 0.75000000 0.02540432 1.0
Ga Ga21 1 0.40780112 0.75000000 0.52143744 1.0
Ga Ga22 1 0.90579088 0.25000000 0.97793769 1.0
Bi Bi23 1 0.56597130 0.98930261 0.17144448 1.0
Bi Bi24 1 0.93755815 0.50863448 0.67480154 1.0
Bi Bi25 1 0.43434414 0.49203665 0.82583018 1.0
Bi Bi26 1 0.06734908 0.01005955 0.32535261 1.0
Bi Bi27 1 0.43434414 0.00796335 0.82583018 1.0
Bi Bi28 1 0.06734908 0.48994045 0.32535261 1.0
Bi Bi29 1 0.56597130 0.51069739 0.17144448 1.0
Bi Bi30 1 0.93755815 0.99136552 0.67480154 1.0
Pt Pt31 1 0.58434861 0.25000000 0.48557721 1.0
