Gd5(RuO7)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-673761 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Gd5(RuO7)2

MP-ID

mp-673761

Elements

Sites

Density

6.7077

g/cm³

Volume

300.14

Å³

Cell a

6.4543

Cell b

6.4543

Cell c

7.5583

α Angle

89.75

β Angle

89.75

γ Angle

107.59

Space Group

C2/m

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
11.71	7.5581	11.3	(0,0,1)
14.40	6.1525	8.9	(1,0,0)
17.03	5.2080	10.2	(1,-1,0)
18.54	4.7854	24.4	(1,0,1)
18.65	4.7577	1.8	(1,0,-1)
20.71	4.2885	8.2	(1,-1,1)
23.33	3.8124	2.7	(1,1,0)
23.54	3.7791	5.2	(0,0,2)
26.26	3.3938	17.1	(1,1,-1)
29.03	3.0762	89.2	(2,0,0)
29.20	3.0587	100.0	(1,-1,2)
30.63	2.9185	1.1	(2,-1,1)
30.70	2.9121	13.9	(2,-1,-1)
31.33	2.8552	14.6	(2,0,1)
31.46	2.8434	1.6	(2,0,-1)
33.26	2.6938	25.2	(1,1,2)
33.51	2.6741	21.9	(1,1,-2)
34.44	2.6040	18.9	(2,-2,0)
35.64	2.5194	1.2	(0,0,3)
36.39	2.4691	1.4	(2,1,0)
37.59	2.3927	1.5	(2,0,2)
38.27	2.3520	1.2	(2,1,1)
38.43	2.3421	1.8	(2,1,-1)
38.70	2.3266	4.8	(1,0,-3)

Get direct link

Energy Properties

Formation Energy/atom

-2.75806

eV/atom

Energy/atom

-10.29143

eV/atom

Energy above Hull

0.0906

eV/atom

Uncorrected Energy

-9.8334

eV/atom

Volume/atom

14.29

Å³

c/a Ratio

1.1711

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

38.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.126610

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

0.8359

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.9500

J/mol·K

Ω Parameter

1.5796

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

54.155%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9575

smaller = more stable mixing

VEC

4.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.914

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7609

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.576

Family

O-rich Multi-Component

Matrix Element

O · 0.667

Related Tasks

Related computation task IDs (2)

aaacfoem aaacyphk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-673761

Reference Citation

The crystal structure and related material properties of Gd5(RuO7)2 were obtained from the Materials Project database (MP-ID: mp-673761, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Gd5(RuO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45429955
_cell_length_b   6.45429955
_cell_length_c   7.55830434
_cell_angle_alpha   89.75113799
_cell_angle_beta   89.75113799
_cell_angle_gamma   107.58871049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd5(RuO7)2
_chemical_formula_sum   'Gd5 Ru2 O14'
_cell_volume   300.13578981
_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
  Gd  Gd0  1  0.93287100  0.48275600  0.75558800  1.0
  Gd  Gd1  1  0.51724400  0.06712900  0.24441200  1.0
  Gd  Gd2  1  0.48275600  0.93287100  0.75558800  1.0
  Gd  Gd3  1  0.00000000  0.00000000  0.50000000  1.0
  Gd  Gd4  1  0.06712900  0.51724400  0.24441200  1.0
  Ru  Ru5  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru6  1  0.50000000  0.50000000  0.00000000  1.0
  O  O7  1  0.87361900  0.17492000  0.28830400  1.0
  O  O8  1  0.82508000  0.12638100  0.71169600  1.0
  O  O9  1  0.80415800  0.54934600  0.46211100  1.0
  O  O10  1  0.79777900  0.53345800  0.04712800  1.0
  O  O11  1  0.58875600  0.58875600  0.75052200  1.0
  O  O12  1  0.46654200  0.20222100  0.95287200  1.0
  O  O13  1  0.45065400  0.19584200  0.53788900  1.0
  O  O14  1  0.54934600  0.80415800  0.46211100  1.0
  O  O15  1  0.53345800  0.79777900  0.04712800  1.0
  O  O16  1  0.41124400  0.41124400  0.24947800  1.0
  O  O17  1  0.20222100  0.46654200  0.95287200  1.0
  O  O18  1  0.19584200  0.45065400  0.53788900  1.0
  O  O19  1  0.17492000  0.87361900  0.28830400  1.0
  O  O20  1  0.12638100  0.82508000  0.71169600  1.0

Get direct link