YP

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-994 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

MP-ID

mp-994

Elements

Sites

Density

4.3420

g/cm³

Volume

45.85

Å³

Cell a

4.0174

Cell b

4.0174

Cell c

4.0174

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
27.19	3.2802	11.6	(1,1,1)
27.19	3.2802	23.2	(1,0,0)
27.19	3.2802	11.6	(0,0,1)
31.49	2.8407	100.0	(1,1,0)
45.14	2.0087	35.2	(2,1,1)
45.14	2.0087	35.2	(1,0,-1)
53.49	1.7130	9.0	(2,2,1)
53.49	1.7130	7.2	(2,1,0)
53.49	1.7130	5.4	(1,0,2)
56.08	1.6401	6.0	(2,2,2)
56.08	1.6401	12.1	(2,0,0)
56.08	1.6401	6.0	(0,0,2)
65.74	1.4204	11.0	(2,2,0)
72.52	1.3034	1.4	(3,2,2)
72.52	1.3034	2.1	(3,1,1)
72.52	1.3034	1.4	(2,-1,0)
72.52	1.3034	2.1	(2,0,-1)
72.52	1.3034	1.4	(1,0,-2)
74.72	1.2704	10.1	(3,2,1)
74.72	1.2704	10.1	(2,1,3)
74.72	1.2704	10.1	(2,1,-1)
83.33	1.1597	1.9	(3,3,2)
83.33	1.1597	3.8	(3,2,3)
83.33	1.1597	1.9	(3,0,1)

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Energy Properties

Formation Energy/atom

-1.85715

eV/atom

Energy/atom

-16.51499

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.5150

eV/atom

Volume/atom

22.92

Å³

c/a Ratio

1.0000

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

85.850

GPa

G_VRH

58.797

GPa

Young's Modulus E

143.607

GPa

Poisson Ratio ν

0.221

Pugh Ratio K/G

1.460

Vickers Hardness Est.

10.924

GPa

Ductility

Ductile

Anisotropy

0.448

Lame λ

46.652

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

0.500

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

0.4480

Homogeneous Poisson ν

0.2210

Debye Temperature

426.6

Sound Velocity

4,072.0

m/s

Homogeneity

0.2210

Related Tasks

Related computation task IDs (5)

aaacieua aaadrdrx aaaegqyp aaaeuofw aaafdelf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-994

Reference Citation

The crystal structure and related material properties of YP were obtained from the Materials Project database (MP-ID: mp-994, 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_YP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01736653
_cell_length_b   4.01736644
_cell_length_c   4.01736573
_cell_angle_alpha   59.99998004
_cell_angle_beta   59.99998086
_cell_angle_gamma   59.99998646
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP
_chemical_formula_sum   'Y1 P1'
_cell_volume   45.84680800
_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
  Y  Y0  1  0.00000000  0.00000000  0.00000000  1.0
  P  P1  1  0.50000000  0.50000000  0.50000000  1.0

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