Be2CdP

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-631489 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Be2CdP

MP-ID

mp-631489

Elements

Sites

Density

4.7465

g/cm³

Volume

56.47

Å³

Cell a

4.3063

Cell b

4.3063

Cell c

4.3063

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

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 10)

2θ	d (Å)	I	hkl
25.33	3.5161	72.8	(1,1,1)
29.33	3.0450	97.5	(1,1,0)
41.96	2.1532	100.0	(2,1,1)
49.65	1.8362	35.6	(2,2,1)
52.02	1.7580	25.0	(2,2,2)
60.84	1.5225	15.8	(2,2,0)
66.98	1.3972	13.8	(3,2,2)
68.96	1.3618	30.9	(3,2,1)
76.65	1.2431	32.1	(3,3,2)
82.26	1.1720	10.2	(3,3,3)

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Energy Properties

Formation Energy/atom

0.72998

eV/atom

Energy/atom

-2.73359

eV/atom

Energy above Hull

0.8746

eV/atom

Uncorrected Energy

-2.7336

eV/atom

Volume/atom

14.12

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0028

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

μB/Å³

Elastic Properties

K_VRH

79.941

GPa

G_VRH

-144.504

GPa

Young's Modulus E

GPa

Poisson Ratio ν

2.774

Pugh Ratio K/G

-0.553

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

13.980

Lame λ

176.277

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Be · 0.500

Element Family

Alkali-AlkEarth

Solute Fraction

0.500

Interstitial Fraction

0.250

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

0.4760

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.182%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2559

smaller = more stable mixing

VEC

5.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.304

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.269

Family

Interstitial Alloy

Matrix Element

Be · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

13.9800

Homogeneous Poisson ν

2.7740

Homogeneity

2.7740

Related Tasks

Related computation task IDs (5)

aaadnsci aaadwohf aaadxyxa aaaettbg aaafsjfm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-631489

Reference Citation

The crystal structure and related material properties of Be2CdP were obtained from the Materials Project database (MP-ID: mp-631489, 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

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Raw CIF Data

# generated using pymatgen
data_Be2CdP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30630575
_cell_length_b   4.30630575
_cell_length_c   4.30630575
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdP
_chemical_formula_sum   'Be2 Cd1 P1'
_cell_volume   56.46763363
_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
  Be  Be0  1  0.25000000  0.25000000  0.25000000  1.0
  Be  Be1  1  0.75000000  0.75000000  0.75000000  1.0
  Cd  Cd2  1  0.00000000  0.00000000  0.00000000  1.0
  P  P3  1  0.50000000  0.50000000  0.50000000  1.0

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