Y2Ge2O7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-785425 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Y2Ge2O7

MP-ID

mp-785425

Elements

Sites

Density

4.9764

g/cm³

Volume

580.73

Å³

Cell a

12.4064

Cell b

6.8690

Cell c

6.8475

α Angle

92.62

β Angle

92.97

γ Angle

93.85

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

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
12.96	6.8300	4.9	(0,0,1)
14.33	6.1798	3.7	(2,0,0)
14.35	6.1733	20.4	(1,-1,0)
14.47	6.1222	3.1	(1,0,-1)
15.16	5.8434	1.9	(1,0,1)
18.66	4.7548	62.6	(2,-1,0)
18.83	4.7133	1.5	(2,0,-1)
19.22	4.6189	1.1	(1,-1,1)
19.90	4.4619	77.2	(2,0,1)
20.02	4.4358	38.2	(2,1,0)
21.57	4.1199	18.0	(3,0,0)
22.70	3.9172	55.6	(2,-1,-1)
22.88	3.8876	14.1	(2,-1,1)
23.12	3.8478	64.2	(2,1,-1)
24.43	3.6439	2.5	(3,-1,0)
24.61	3.6169	16.4	(3,0,-1)
24.70	3.6043	94.1	(2,1,1)
25.86	3.4449	17.2	(3,0,1)
26.09	3.4150	43.0	(0,0,2)
26.53	3.3592	3.4	(1,-2,0)
26.70	3.3391	58.5	(1,0,-2)
27.48	3.2453	6.6	(3,-1,-1)
28.01	3.1854	4.8	(3,-1,1)
28.31	3.1525	4.9	(3,1,-1)

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Energy Properties

Formation Energy/atom

2.72769

eV/atom

Energy/atom

-2.44503

eV/atom

Energy above Hull

5.7823

eV/atom

Uncorrected Energy

-2.1491

eV/atom

Volume/atom

13.20

Å³

c/a Ratio

0.5519

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.8209

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001410

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.636

Element Family

Metalloid-Nonmetal

Solute Fraction

0.364

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9075

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5452

J/mol·K

Ω Parameter

0.7976

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

50.714%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9096

smaller = more stable mixing

VEC

3.818

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.508

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8261

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.401

Family

O-rich Multi-Component

Matrix Element

O · 0.636

Related Tasks

Related computation task IDs (2)

aaabsrwr aaabwbvs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-785425

Reference Citation

The crystal structure and related material properties of Y2Ge2O7 were obtained from the Materials Project database (MP-ID: mp-785425, 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_Y2Ge2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.40636900
_cell_length_b   6.86897749
_cell_length_c   6.84745236
_cell_angle_alpha   92.61606315
_cell_angle_beta   92.96791778
_cell_angle_gamma   93.85185686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Ge2O7
_chemical_formula_sum   'Y8 Ge8 O28'
_cell_volume   580.72745017
_cell_formula_units_Z   4
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
  Y  Y0  1  0.31474600  0.11886600  0.83162600  1.0
  Y  Y1  1  0.04555700  0.11264200  0.33188200  1.0
  Y  Y2  1  0.63365600  0.36934700  0.76996500  1.0
  Y  Y3  1  0.11096300  0.35643300  0.08083200  1.0
  Y  Y4  1  0.88903700  0.64356700  0.91916800  1.0
  Y  Y5  1  0.36634400  0.63065300  0.23003500  1.0
  Y  Y6  1  0.95444300  0.88735800  0.66811800  1.0
  Y  Y7  1  0.68525400  0.88113400  0.16837400  1.0
  Ge  Ge8  1  0.83145900  0.11357000  0.85303800  1.0
  Ge  Ge9  1  0.51399300  0.16383500  0.33234400  1.0
  Ge  Ge10  1  0.14471200  0.37766700  0.61419300  1.0
  Ge  Ge11  1  0.61013400  0.39725000  0.26489900  1.0
  Ge  Ge12  1  0.38986600  0.60275000  0.73510100  1.0
  Ge  Ge13  1  0.85528800  0.62233300  0.38580700  1.0
  Ge  Ge14  1  0.48600700  0.83616500  0.66765600  1.0
  Ge  Ge15  1  0.16854100  0.88643000  0.14696200  1.0
  O  O16  1  0.24462900  0.01818300  0.09649400  1.0
  O  O17  1  0.99901100  0.08242100  0.66365000  1.0
  O  O18  1  0.70854400  0.08148700  0.28324400  1.0
  O  O19  1  0.34106400  0.11740300  0.49223200  1.0
  O  O20  1  0.63358800  0.18774900  0.78870200  1.0
  O  O21  1  0.00811100  0.18327000  0.02026000  1.0
  O  O22  1  0.39941600  0.22325100  0.13118600  1.0
  O  O23  1  0.60906300  0.29938800  0.44614600  1.0
  O  O24  1  0.29359500  0.31130800  0.78679900  1.0
  O  O25  1  0.07039800  0.30331100  0.39584300  1.0
  O  O26  1  0.77486100  0.37752400  0.08098300  1.0
  O  O27  1  0.96144800  0.41772500  0.77503400  1.0
  O  O28  1  0.39744400  0.45096100  0.16354900  1.0
  O  O29  1  0.29565400  0.49299100  0.55956900  1.0
  O  O30  1  0.70434600  0.50700900  0.44043100  1.0
  O  O31  1  0.60255600  0.54903900  0.83645100  1.0
  O  O32  1  0.03855200  0.58227500  0.22496600  1.0
  O  O33  1  0.22513900  0.62247600  0.91901700  1.0
  O  O34  1  0.92960200  0.69668900  0.60415700  1.0
  O  O35  1  0.70640500  0.68869200  0.21320100  1.0
  O  O36  1  0.39093700  0.70061200  0.55385400  1.0
  O  O37  1  0.60058400  0.77674900  0.86881400  1.0
  O  O38  1  0.99188900  0.81673000  0.97974000  1.0
  O  O39  1  0.36641200  0.81225100  0.21129800  1.0
  O  O40  1  0.65893600  0.88259700  0.50776800  1.0
  O  O41  1  0.29145600  0.91851300  0.71675600  1.0
  O  O42  1  0.00098900  0.91757900  0.33635000  1.0
  O  O43  1  0.75537100  0.98181700  0.90350600  1.0

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