Ge2SbO6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1042897 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Ge2SbO6

MP-ID

mp-1042897

Elements

Sites

Density

4.5453

g/cm³

Volume

265.26

Å³

Cell a

7.0014

Cell b

7.0014

Cell c

5.7451

α Angle

76.13

β Angle

76.13

γ Angle

84.66

Space Group

C2/c

Point Group

2/m

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
13.03	6.7925	34.4	(1,0,0)
18.47	4.8031	76.3	(1,0,1)
18.82	4.7149	34.8	(1,-1,0)
23.14	3.8430	38.8	(1,0,-1)
25.00	3.5615	1.6	(1,-1,1)
26.24	3.3963	4.0	(2,0,0)
27.67	3.2243	100.0	(2,0,1)
28.95	3.0847	75.5	(2,1,0)
29.85	2.9929	11.2	(2,-1,0)
32.07	2.7907	1.5	(1,1,2)
32.62	2.7448	2.0	(1,0,2)
32.70	2.7388	29.8	(2,-1,1)
32.96	2.7174	43.5	(0,0,2)
34.13	2.6269	55.5	(2,0,-1)
35.65	2.5183	4.7	(2,-1,-1)
36.71	2.4482	2.9	(2,2,0)
36.78	2.4439	19.8	(2,1,2)
38.18	2.3575	7.3	(2,-2,0)
38.23	2.3544	1.3	(1,-1,2)
38.34	2.3475	9.4	(1,0,-2)
39.53	2.2800	1.5	(3,0,1)
39.81	2.2642	1.3	(3,0,0)
40.01	2.2533	8.1	(3,1,1)
40.84	2.2096	9.6	(2,2,2)

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Energy Properties

Formation Energy/atom

-1.89843

eV/atom

Energy/atom

-6.68319

eV/atom

Energy above Hull

0.1523

eV/atom

Uncorrected Energy

-6.2252

eV/atom

Volume/atom

14.74

Å³

c/a Ratio

0.8206

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

2.5939

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.792%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6679

smaller = more stable mixing

VEC

4.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.105

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.530

Family

O-rich Multi-Component

Matrix Element

O · 0.667

Related Tasks

Related computation task IDs (3)

aaachiua aaacykln aaadrvqz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1042897

Reference Citation

The crystal structure and related material properties of Ge2SbO6 were obtained from the Materials Project database (MP-ID: mp-1042897, 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_Ge2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00139285
_cell_length_b   7.00139285
_cell_length_c   5.74505398
_cell_angle_alpha   76.13483395
_cell_angle_beta   76.13483395
_cell_angle_gamma   84.66354706
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbO6
_chemical_formula_sum   'Ge4 Sb2 O12'
_cell_volume   265.25814981
_cell_formula_units_Z   2
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
  Ge  Ge0  1  0.21699900  0.38093700  0.75731700  1.0
  Ge  Ge1  1  0.61906300  0.78300100  0.74268300  1.0
  Ge  Ge2  1  0.78300100  0.61906300  0.24268300  1.0
  Ge  Ge3  1  0.38093700  0.21699900  0.25731700  1.0
  Sb  Sb4  1  0.11488300  0.88511700  0.75000000  1.0
  Sb  Sb5  1  0.88511700  0.11488300  0.25000000  1.0
  O  O6  1  0.38712300  0.33605700  0.49398400  1.0
  O  O7  1  0.66394300  0.61287700  0.00601600  1.0
  O  O8  1  0.61287700  0.66394300  0.50601600  1.0
  O  O9  1  0.33605700  0.38712300  0.99398400  1.0
  O  O10  1  0.61348200  0.09819600  0.19045300  1.0
  O  O11  1  0.90180400  0.38651800  0.30954700  1.0
  O  O12  1  0.38651800  0.90180400  0.80954700  1.0
  O  O13  1  0.09819600  0.61348200  0.69045300  1.0
  O  O14  1  0.04831000  0.17815700  0.87305600  1.0
  O  O15  1  0.82184300  0.95169000  0.62694400  1.0
  O  O16  1  0.95169000  0.82184300  0.12694400  1.0
  O  O17  1  0.17815700  0.04831000  0.37305600  1.0

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