TbYb2Ga9Ag2

高熵材料 HEA

MP-ID: mp-3250684 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

TbYb2Ga9Ag2

MP-ID

mp-3250684

Elements

Sites

Density

8.6428

g/cm³

Volume

259.04

Å³

Cell a

8.2011

Cell b

8.2011

Cell c

8.2011

α Angle

149.38

β Angle

110.05

γ Angle

78.26

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
11.70	7.5613	2.8	(0,1,-1)
18.88	4.7008	3.9	(1,-1,1)
21.68	4.1000	2.9	(1,0,-1)
22.60	3.9337	25.7	(1,-1,0)
23.01	3.8660	3.0	(1,2,-2)
23.01	3.8660	3.0	(2,1,-1)
23.53	3.7807	5.0	(0,2,-2)
28.05	3.1809	1.2	(2,2,-2)
28.90	3.0899	5.0	(2,-1,0)
28.90	3.0899	1.7	(1,0,1)
29.35	3.0429	5.3	(1,-2,2)
29.48	3.0302	18.8	(2,1,-2)
34.03	2.6344	25.3	(1,3,-3)
35.24	2.5469	100.0	(1,2,-3)
35.24	2.5469	100.0	(0,3,-2)
35.35	2.5389	45.8	(2,-2,1)
35.62	2.5204	53.1	(0,3,-3)
36.32	2.4734	23.2	(2,2,-3)
36.32	2.4734	23.2	(1,3,-2)
36.58	2.4563	8.9	(2,3,-3)
38.17	2.3581	58.2	(3,-1,0)
38.29	2.3504	11.6	(2,-2,2)
41.14	2.1940	8.9	(3,2,-3)
41.14	2.1940	8.9	(2,3,-2)

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Energy Properties

Formation Energy/atom

-0.45283

eV/atom

Energy/atom

-18.30869

eV/atom

Energy above Hull

0.0283

eV/atom

Uncorrected Energy

-18.3087

eV/atom

Volume/atom

18.50

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Ga · 0.643

Element Family

PostTransition-Noble

Solute Fraction

0.357

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0285

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5511

J/mol·K

Ω Parameter

1.0463

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.073%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3031

smaller = more stable mixing

VEC

6.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.265

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7419

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcysi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3250684

Reference Citation

The crystal structure and related material properties of TbYb2Ga9Ag2 were obtained from the Materials Project database (MP-ID: mp-3250684, 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_TbYb2Ga9Ag2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20110099
_cell_length_b   8.20110073
_cell_length_c   8.20110133
_cell_angle_alpha   149.37893810
_cell_angle_beta   110.05382602
_cell_angle_gamma   78.26077994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbYb2Ga9Ag2
_chemical_formula_sum   'Tb1 Yb2 Ga9 Ag2'
_cell_volume   259.03795228
_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  0.50000000  0.50000000  0.00000000  1.0
  Yb  Yb1  1  0.19886806  0.19886806  0.00000000  1.0
  Yb  Yb2  1  0.80113194  0.80113194  1.00000000  1.0
  Ga  Ga3  1  0.07464486  0.35515034  0.71949452  1.0
  Ga  Ga4  1  0.92535514  0.64484966  0.28050548  1.0
  Ga  Ga5  1  0.63565682  0.35515034  0.28050548  1.0
  Ga  Ga6  1  0.36434318  0.64484966  0.71949452  1.0
  Ga  Ga7  1  0.79101362  0.15926999  0.63174463  1.0
  Ga  Ga8  1  0.20898638  0.84073001  0.36825537  1.0
  Ga  Ga9  1  0.52752536  0.15926999  0.36825537  1.0
  Ga  Ga10  1  0.47247464  0.84073001  0.63174463  1.0
  Ga  Ga11  1  0.00000000  0.50000000  0.50000000  1.0
  Ag  Ag12  1  0.81463601  1.00000000  0.81463601  1.0
  Ag  Ag13  1  0.18536399  0.00000000  0.18536399  1.0

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