Tm6Al24GaOs7
高熵材料 HEAMP-ID: mp-3293205 · Space group: C2/m (#12)
Basic Information
Formula
Tm6Al24GaOs7
MP-ID
mp-3293205
Elements
4
Sites
38
Density
8.0607
g/cm³
Volume
630.89
ų
Cell a
8.7665
Å
Cell b
8.7665
Å
Cell c
9.4519
Å
α Angle
89.99
°
β Angle
90.01
°
γ Angle
119.71
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 9.36 | 9.4519 | 3.8 | (0,0,0,1) |
| 11.62 | 7.6139 | 1.6 | (0,1,-1,0) |
| 11.62 | 7.6139 | 1.6 | (1,0,-1,0) |
| 11.67 | 7.5810 | 4.3 | (1,-1,0,0) |
| 14.94 | 5.9296 | 32.8 | (1,0,-1,-1) |
| 14.94 | 5.9292 | 6.3 | (1,0,-1,1) |
| 14.98 | 5.9143 | 16.9 | (1,-1,0,-1) |
| 14.98 | 5.9134 | 3.7 | (1,-1,0,1) |
| 18.78 | 4.7259 | 11.6 | (0,0,0,2) |
| 20.17 | 4.4023 | 4.4 | (1,1,-2,0) |
| 22.14 | 4.0155 | 1.0 | (1,0,-1,-2) |
| 22.14 | 4.0152 | 1.6 | (1,0,-1,2) |
| 22.28 | 3.9907 | 1.4 | (1,1,-2,1) |
| 22.36 | 3.9762 | 1.6 | (2,-1,-1,1) |
| 23.37 | 3.8069 | 48.5 | (2,0,-2,0) |
| 23.47 | 3.7905 | 24.5 | (2,-2,0,0) |
| 25.22 | 3.5314 | 17.0 | (2,0,-2,-1) |
| 25.22 | 3.5312 | 32.3 | (2,0,-2,1) |
| 25.31 | 3.5183 | 16.6 | (2,-2,0,-1) |
| 25.32 | 3.5179 | 7.4 | (2,-2,0,1) |
| 27.76 | 3.2140 | 5.9 | (2,-1,-1,-2) |
| 27.76 | 3.2135 | 4.2 | (2,-1,-1,2) |
| 30.14 | 2.9648 | 89.6 | (2,0,-2,-2) |
| 30.15 | 2.9646 | 92.0 | (2,0,-2,2) |
Energy Properties
Formation Energy/atom
-0.65525
eV/atom
Energy/atom
-20.51409
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.5141
eV/atom
Volume/atom
16.60
ų
c/a Ratio
1.0782
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0246
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.632
Element Family
PostTransition-Noble
Solute Fraction
0.368
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9890
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2228
J/mol·K
Ω Parameter
4.0998
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.744%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2870
smaller = more stable mixing
VEC
5.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.996
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7134
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293205
Reference Citation
The crystal structure and related material properties of Tm6Al24GaOs7 were obtained from the Materials Project database (MP-ID: mp-3293205, 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_Tm6Al24GaOs7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.76649575
_cell_length_b 8.76649656
_cell_length_c 9.45187764
_cell_angle_alpha 89.99208452
_cell_angle_beta 90.00791493
_cell_angle_gamma 119.71279377
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm6Al24GaOs7
_chemical_formula_sum 'Tm6 Al24 Ga1 Os7'
_cell_volume 630.88533530
_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 0.80361126 0.19638874 0.74393375 1.0
Tm Tm1 1 0.19638874 0.80361126 0.25606625 1.0
Tm Tm2 1 0.38697827 0.19173580 0.75243712 1.0
Tm Tm3 1 0.61302173 0.80826420 0.24756288 1.0
Tm Tm4 1 0.80826420 0.61302173 0.75243712 1.0
Tm Tm5 1 0.19173580 0.38697827 0.24756288 1.0
Al Al6 1 0.67245784 0.32754216 0.97963006 1.0
Al Al7 1 0.32754216 0.67245784 0.02036994 1.0
Al Al8 1 0.33351262 0.66648738 0.48098555 1.0
Al Al9 1 0.66648738 0.33351262 0.51901445 1.0
Al Al10 1 0.83646487 0.16353513 0.42194864 1.0
Al Al11 1 0.16353513 0.83646487 0.57805136 1.0
Al Al12 1 0.32623555 0.16334061 0.42676329 1.0
Al Al13 1 0.16327859 0.83672141 0.92165543 1.0
Al Al14 1 0.67376445 0.83665939 0.57323671 1.0
Al Al15 1 0.83672141 0.16327859 0.07834457 1.0
Al Al16 1 0.83665939 0.67376445 0.42676329 1.0
Al Al17 1 0.67814753 0.85168560 0.91799480 1.0
Al Al18 1 0.16334061 0.32623555 0.57323671 1.0
Al Al19 1 0.32185247 0.14831440 0.08200520 1.0
Al Al20 1 0.14831440 0.32185247 0.91799480 1.0
Al Al21 1 0.85168560 0.67814753 0.08200520 1.0
Al Al22 1 0.43503806 0.56496194 0.74300967 1.0
Al Al23 1 0.56496194 0.43503806 0.25699033 1.0
Al Al24 1 0.12103562 0.56227755 0.75049999 1.0
Al Al25 1 0.87896438 0.43772245 0.24950001 1.0
Al Al26 1 0.43772245 0.87896438 0.75049999 1.0
Al Al27 1 0.56227755 0.12103562 0.24950001 1.0
Al Al28 1 0.00143565 0.99856435 0.74943253 1.0
Al Al29 1 0.99856435 0.00143565 0.25056747 1.0
Ga Ga30 1 0.50000000 0.50000000 0.00000000 1.0
Os Os31 1 0.00000000 0.50000000 0.00000000 1.0
Os Os32 1 0.50000000 0.50000000 0.50000000 1.0
Os Os33 1 0.50000000 0.00000000 0.00000000 1.0
Os Os34 1 0.00000000 0.50000000 0.50000000 1.0
Os Os35 1 0.50000000 0.00000000 0.50000000 1.0
Os Os36 1 0.00000000 0.00000000 0.00000000 1.0
Os Os37 1 0.00000000 0.00000000 0.50000000 1.0
