YNiGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079802 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

YNiGe2

MP-ID

mp-1079802

Elements

Sites

Density

6.9178

g/cm³

Volume

140.61

Å³

Cell a

8.5996

Cell b

8.5996

Cell c

4.1062

α Angle

90.00

β Angle

90.00

γ Angle

152.42

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
10.59	8.3516	11.8	(1,-1,0)
22.33	3.9819	3.8	(1,0,0)
27.01	3.3015	2.2	(2,-1,0)
30.53	2.9278	2.2	(2,-2,1)
31.29	2.8586	12.9	(1,0,1)
32.15	2.7839	4.3	(3,-3,0)
34.64	2.5898	33.8	(3,-2,0)
34.87	2.5730	100.0	(2,-1,1)
39.09	2.3042	29.4	(3,-3,1)
41.21	2.1905	6.9	(3,-2,1)
44.11	2.0531	31.5	(0,0,2)
44.18	2.0500	31.4	(1,1,0)
48.94	1.8611	12.8	(4,-4,1)
49.46	1.8430	14.3	(4,-3,1)
54.25	1.6908	13.1	(5,-4,0)
55.62	1.6523	1.8	(3,-3,2)
55.68	1.6507	1.8	(4,-2,0)
57.26	1.6089	15.0	(3,-2,2)
59.09	1.5634	3.5	(5,-4,1)
59.77	1.5472	1.4	(5,-5,1)
60.44	1.5316	15.7	(4,-2,1)
64.20	1.4507	19.8	(1,1,2)
68.04	1.3780	9.2	(5,-3,1)
69.92	1.3454	8.8	(6,-5,1)

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Energy Properties

Formation Energy/atom

-0.69145

eV/atom

Energy/atom

-6.07527

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.7561

eV/atom

Volume/atom

17.58

Å³

c/a Ratio

0.4775

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Ge · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.4653

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.302%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3302

smaller = more stable mixing

VEC

5.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-27.636

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.509

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadmqnv aaadrfam aaaemggr aaaeupgv aaafbypl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079802

Reference Citation

The crystal structure and related material properties of YNiGe2 were obtained from the Materials Project database (MP-ID: mp-1079802, 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_YNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59956955
_cell_length_b   8.59956955
_cell_length_c   4.10619325
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   152.41718249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiGe2
_chemical_formula_sum   'Y2 Ni2 Ge4'
_cell_volume   140.60545681
_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
  Y  Y0  1  0.89184089  0.10815911  0.25000000  1.0
  Y  Y1  1  0.10815911  0.89184089  0.75000000  1.0
  Ni  Ni2  1  0.67895735  0.32104265  0.25000000  1.0
  Ni  Ni3  1  0.32104265  0.67895735  0.75000000  1.0
  Ge  Ge4  1  0.54227881  0.45772119  0.25000000  1.0
  Ge  Ge5  1  0.45772119  0.54227881  0.75000000  1.0
  Ge  Ge6  1  0.25064767  0.74935233  0.25000000  1.0
  Ge  Ge7  1  0.74935233  0.25064767  0.75000000  1.0

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