Tm2Ga3Tc8Ge

高熵材料 HEA

MP-ID: mp-3295702 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Tm2Ga3Tc8Ge

MP-ID

mp-3295702

Elements

Sites

Density

10.2788

g/cm³

Volume

226.76

Å³

Cell a

6.9582

Cell b

7.5034

Cell c

4.3433

α Angle

90.00

β Angle

90.00

γ Angle

90.12

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
23.67	3.7590	12.5	(0,1,1)
24.16	3.6844	15.1	(1,0,1)
25.60	3.4791	1.7	(2,0,0)
26.95	3.3087	5.7	(1,-1,1)
26.97	3.3058	5.2	(1,1,1)
26.98	3.3052	1.4	(1,-2,0)
27.02	3.2994	1.2	(1,2,0)
34.09	2.6302	40.7	(1,-2,1)
34.13	2.6273	41.5	(1,2,1)
35.13	2.5546	54.3	(2,-1,1)
35.14	2.5537	19.1	(2,-2,0)
35.17	2.5520	55.4	(2,1,1)
35.22	2.5484	18.2	(2,2,0)
38.21	2.3553	35.1	(1,-3,0)
38.26	2.3521	35.1	(1,3,0)
40.69	2.2172	19.0	(3,-1,0)
40.74	2.2146	19.1	(3,1,0)
41.00	2.2014	67.4	(2,-2,1)
41.07	2.1980	66.7	(2,2,1)
41.59	2.1716	100.0	(0,0,2)
41.67	2.1674	21.4	(0,3,1)
43.72	2.0704	17.4	(1,-3,1)
43.77	2.0683	17.2	(1,3,1)
44.27	2.0459	3.8	(3,0,1)

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Energy Properties

Formation Energy/atom

-0.37308

eV/atom

Energy/atom

-23.67020

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.6702

eV/atom

Volume/atom

16.20

Å³

c/a Ratio

0.6242

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0009

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tc · 0.571

Element Family

4d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

17.5389

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.369%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2282

smaller = more stable mixing

VEC

5.643

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.952

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnhu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295702

Reference Citation

The crystal structure and related material properties of Tm2Ga3Tc8Ge were obtained from the Materials Project database (MP-ID: mp-3295702, 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_Tm2Ga3Tc8Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95819303
_cell_length_b   7.50342201
_cell_length_c   4.34328377
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.11901062
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2Ga3Tc8Ge
_chemical_formula_sum   'Tm2 Ga3 Tc8 Ge1'
_cell_volume   226.76348046
_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  0.49947913  0.50044115  0.00000000  1.0
  Tm  Tm1  1  0.00034171  0.99871836  0.50000000  1.0
  Ga  Ga2  1  0.27924881  0.30806790  0.50000000  1.0
  Ga  Ga3  1  0.71895357  0.69219709  0.50000000  1.0
  Ga  Ga4  1  0.22139384  0.80730504  0.00000000  1.0
  Tc  Tc5  1  0.85597701  0.38124550  0.50000000  1.0
  Tc  Tc6  1  0.14432403  0.62009133  0.50000000  1.0
  Tc  Tc7  1  0.64887748  0.88234068  0.00000000  1.0
  Tc  Tc8  1  0.35485243  0.12059106  0.00000000  1.0
  Tc  Tc9  1  0.59625627  0.14921027  0.50000000  1.0
  Tc  Tc10  1  0.40356341  0.85221310  0.50000000  1.0
  Tc  Tc11  1  0.90350663  0.64838409  0.00000000  1.0
  Tc  Tc12  1  0.09418618  0.34764031  0.00000000  1.0
  Ge  Ge13  1  0.77903951  0.19155510  0.00000000  1.0

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