YCoGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078645 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

YCoGe2

MP-ID

mp-1078645

Elements

Sites

Density

6.9539

g/cm³

Volume

139.99

Å³

Cell a

8.4796

Cell b

8.4796

Cell c

4.1171

α Angle

90.00

β Angle

90.00

γ Angle

151.78

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

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
10.76	8.2237	13.7	(1,-1,0)
22.17	4.0099	3.4	(1,0,0)
27.01	3.3011	2.7	(2,-1,0)
30.73	2.9094	1.3	(2,-2,1)
31.14	2.8726	13.0	(1,0,1)
32.67	2.7412	5.1	(3,-3,0)
34.84	2.5755	100.0	(2,-1,1)
34.85	2.5742	30.0	(3,-2,0)
39.49	2.2817	30.8	(3,-3,1)
41.37	2.1827	6.4	(3,-2,1)
43.79	2.0673	31.6	(1,1,0)
43.99	2.0585	31.2	(0,0,2)
44.34	2.0428	1.6	(4,-3,0)
49.56	1.8394	9.5	(4,-4,1)
49.83	1.8299	12.6	(4,-3,1)
54.93	1.6715	12.8	(5,-4,0)
55.69	1.6506	2.3	(4,-2,0)
55.85	1.6461	2.3	(3,-3,2)
57.31	1.6077	13.5	(3,-2,2)
59.71	1.5487	3.8	(5,-4,1)
60.42	1.5320	16.9	(4,-2,1)
60.63	1.5274	1.9	(5,-5,1)
63.81	1.4587	19.8	(1,1,2)
64.24	1.4500	1.0	(4,-3,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.61569

eV/atom

Energy/atom

-6.33783

eV/atom

Energy above Hull

0.0137

eV/atom

Uncorrected Energy

-15.9530

eV/atom

Volume/atom

17.50

Å³

c/a Ratio

0.4855

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

0.4576

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.164%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3276

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-28.290

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.500

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadmkeo aaadreiw aaaemmiy aaaeuqdc aaafxdcp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078645

Reference Citation

The crystal structure and related material properties of YCoGe2 were obtained from the Materials Project database (MP-ID: mp-1078645, 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_YCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47958438
_cell_length_b   8.47958438
_cell_length_c   4.11708954
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   151.77842577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoGe2
_chemical_formula_sum   'Y2 Co2 Ge4'
_cell_volume   139.98862850
_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  0.89019308  0.10980692  0.25000000  1.0
  Y  Y1  1  0.10980692  0.89019308  0.75000000  1.0
  Co  Co2  1  0.68126405  0.31873595  0.25000000  1.0
  Co  Co3  1  0.31873595  0.68126405  0.75000000  1.0
  Ge  Ge4  1  0.54505123  0.45494877  0.25000000  1.0
  Ge  Ge5  1  0.45494877  0.54505123  0.75000000  1.0
  Ge  Ge6  1  0.25044638  0.74955362  0.25000000  1.0
  Ge  Ge7  1  0.74955362  0.25044638  0.75000000  1.0

Get direct link