YGe

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9971 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

YGe

MP-ID

mp-9971

Elements

Sites

Density

5.9078

g/cm³

Volume

90.81

Å³

Cell a

3.9546

Cell b

4.2826

Cell c

5.7739

α Angle

111.77

β Angle

90.00

γ Angle

90.00

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
16.53	5.3622	7.2	(0,0,1)
28.04	3.1827	5.1	(1,0,1)
31.91	2.8043	73.6	(1,1,0)
31.91	2.8043	73.6	(1,1,-1)
32.63	2.7444	17.7	(0,1,1)
32.63	2.7444	17.7	(0,1,-2)
33.42	2.6811	43.8	(0,0,2)
39.99	2.2546	100.0	(1,1,1)
40.66	2.2192	29.2	(1,0,2)
42.20	2.1413	40.1	(0,2,-1)
45.89	1.9773	31.4	(2,0,0)
47.40	1.9178	2.5	(0,1,2)
53.07	1.7256	7.0	(1,1,2)
54.87	1.6732	10.3	(0,2,1)
54.87	1.6732	10.3	(0,2,-3)
56.50	1.6288	6.9	(1,0,3)
57.44	1.6043	6.7	(2,1,1)
57.44	1.6043	6.7	(2,1,-2)
57.95	1.5913	17.3	(2,0,2)
60.04	1.5409	9.0	(1,2,1)
60.04	1.5409	9.0	(1,2,-3)
64.10	1.4527	22.5	(2,2,-1)
64.61	1.4425	18.5	(0,1,3)
68.11	1.3766	1.7	(2,1,2)

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Energy Properties

Formation Energy/atom

-0.97600

eV/atom

Energy/atom

-18.06879

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.0688

eV/atom

Volume/atom

22.70

Å³

c/a Ratio

1.4601

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

K_VRH

78.140

GPa

G_VRH

54.513

GPa

Young's Modulus E

132.684

GPa

Poisson Ratio ν

0.217

Pugh Ratio K/G

1.433

Vickers Hardness Est.

10.612

GPa

Ductility

Ductile

Anisotropy

0.799

Lame λ

41.798

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

Y · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.7990

Homogeneous Poisson ν

0.2170

Debye Temperature

353.2

Sound Velocity

3,359.7

m/s

Homogeneity

0.2170

Related Tasks

Related computation task IDs (5)

aaadmlmm aaaegywf aaaeujry aaafaimk aaafjkiv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9971

Reference Citation

The crystal structure and related material properties of YGe were obtained from the Materials Project database (MP-ID: mp-9971, 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_YGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95459903
_cell_length_b   4.28256002
_cell_length_c   5.77392987
_cell_angle_alpha   111.76823579
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe
_chemical_formula_sum   'Y2 Ge2'
_cell_volume   90.81318770
_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  0.25000000  0.86139416  0.72278831  1.0
  Y  Y1  1  0.75000000  0.13860584  0.27721169  1.0
  Ge  Ge2  1  0.25000000  0.58438231  0.16876463  1.0
  Ge  Ge3  1  0.75000000  0.41561769  0.83123537  1.0

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