YbTa4O8

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3293220 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

YbTa4O8

MP-ID

mp-3293220

Elements

Sites

Density

10.8427

g/cm³

Volume

470.85

Å³

Cell a

7.0131

Cell b

7.0131

Cell c

9.6209

α Angle

86.83

β Angle

93.17

γ Angle

86.67

Space Group

Point Group

Crystal System

Monoclinic

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
9.22	9.5895	2.5	(0,0,1)
12.67	6.9892	3.0	(1,0,0)
15.24	5.8132	4.7	(1,0,-1)
16.13	5.4965	16.8	(1,0,1)
17.39	5.1010	1.2	(1,1,0)
18.50	4.7972	6.6	(1,-1,0)
18.50	4.7947	6.8	(0,0,2)
19.71	4.5035	1.4	(1,1,1)
23.10	3.8497	2.0	(1,0,2)
27.68	3.2230	1.5	(2,0,1)
29.27	3.0517	1.2	(2,-1,0)
29.62	3.0156	7.1	(2,1,1)
30.76	2.9066	100.0	(2,0,-2)
32.58	2.7483	83.1	(2,0,2)
35.19	2.5505	20.5	(2,2,0)
37.50	2.3986	22.1	(2,-2,0)
37.52	2.3974	22.0	(0,0,4)
39.26	2.2950	4.0	(3,0,-1)
39.26	2.2950	4.0	(0,3,1)
39.27	2.2945	7.7	(2,1,-3)
40.04	2.2520	1.7	(3,1,0)
40.04	2.2517	1.8	(2,2,2)
43.76	2.0687	1.1	(3,1,-2)
44.55	2.0340	3.9	(3,-1,-2)

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Energy Properties

Formation Energy/atom

-2.94137

eV/atom

Energy/atom

-24.37806

eV/atom

Energy above Hull

0.0534

eV/atom

Uncorrected Energy

-24.3781

eV/atom

Volume/atom

12.07

Å³

c/a Ratio

1.3718

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.9510

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.615

Element Family

Metalloid-Nonmetal

Solute Fraction

0.385

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8587

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1396

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

47.464%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9877

smaller = more stable mixing

VEC

5.077

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7817

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.559

Family

O-rich Multi-Component

Matrix Element

O · 0.615

Related Tasks

Related computation task IDs (1)

aaahfjqi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293220

Reference Citation

The crystal structure and related material properties of YbTa4O8 were obtained from the Materials Project database (MP-ID: mp-3293220, 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_YbTa4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01312593
_cell_length_b   7.01312546
_cell_length_c   9.62084511
_cell_angle_alpha   86.82579203
_cell_angle_beta   93.17420404
_cell_angle_gamma   86.67168051
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbTa4O8
_chemical_formula_sum   'Yb3 Ta12 O24'
_cell_volume   470.85266619
_cell_formula_units_Z   3
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
  Yb  Yb0  1  0.62296391  0.37703609  0.12081552  1.0
  Yb  Yb1  1  0.89556958  0.10443042  0.39530901  1.0
  Yb  Yb2  1  0.37227972  0.62772028  0.87417969  1.0
  Ta  Ta3  1  0.09919907  0.90080093  0.09837714  1.0
  Ta  Ta4  1  0.59740935  0.40259065  0.59831051  1.0
  Ta  Ta5  1  0.39768715  0.60231285  0.39907059  1.0
  Ta  Ta6  1  0.90017184  0.09982816  0.89862677  1.0
  Ta  Ta7  1  0.60112145  0.83193394  0.61370998  1.0
  Ta  Ta8  1  0.10597663  0.33053809  0.11426043  1.0
  Ta  Ta9  1  0.66946191  0.89402337  0.11426043  1.0
  Ta  Ta10  1  0.16806706  0.39887855  0.61370998  1.0
  Ta  Ta11  1  0.32984690  0.10550607  0.88288660  1.0
  Ta  Ta12  1  0.83288120  0.60171729  0.38947645  1.0
  Ta  Ta13  1  0.39828271  0.16711880  0.38947645  1.0
  Ta  Ta14  1  0.89449393  0.67015310  0.88288660  1.0
  O  O15  1  0.60035859  0.09214096  0.25151004  1.0
  O  O16  1  0.08730622  0.58400172  0.75434927  1.0
  O  O17  1  0.41599828  0.91269378  0.75434927  1.0
  O  O18  1  0.90785904  0.39964141  0.25151004  1.0
  O  O19  1  0.82835335  0.82714298  0.50034367  1.0
  O  O20  1  0.33514313  0.33646162  0.99972210  1.0
  O  O21  1  0.17285702  0.17164665  0.50034367  1.0
  O  O22  1  0.66353838  0.66485687  0.99972210  1.0
  O  O23  1  0.17755426  0.09234733  0.23973144  1.0
  O  O24  1  0.67040008  0.59301520  0.74077745  1.0
  O  O25  1  0.12558557  0.59146890  0.45074608  1.0
  O  O26  1  0.62704249  0.10815437  0.96330484  1.0
  O  O27  1  0.09188552  0.18937353  0.76653482  1.0
  O  O28  1  0.59644254  0.67007821  0.25997127  1.0
  O  O29  1  0.60893352  0.12646023  0.54216820  1.0
  O  O30  1  0.10511538  0.62638600  0.03941224  1.0
  O  O31  1  0.81062647  0.90811448  0.76653482  1.0
  O  O32  1  0.32992179  0.40355746  0.25997127  1.0
  O  O33  1  0.87353977  0.39106648  0.54216820  1.0
  O  O34  1  0.37361400  0.89488462  0.03941224  1.0
  O  O35  1  0.90765267  0.82244574  0.23973144  1.0
  O  O36  1  0.40698480  0.32959992  0.74077745  1.0
  O  O37  1  0.40853110  0.87441443  0.45074608  1.0
  O  O38  1  0.89184563  0.37295751  0.96330484  1.0

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