Be2Cr

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30438 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Be2Cr

MP-ID

mp-30438

Elements

Sites

Density

4.0658

g/cm³

Volume

114.39

Å³

Cell a

4.3134

Cell b

4.3134

Cell c

7.0995

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

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
23.82	3.7355	59.3	(1,0,-1,0)
23.82	3.7355	59.3	(0,1,-1,0)
23.82	3.7355	59.3	(1,-1,0,0)
25.09	3.5498	100.0	(0,0,0,2)
26.97	3.3058	21.4	(1,0,-1,1)
26.97	3.3058	64.2	(1,0,-1,-1)
26.97	3.3058	42.8	(1,-1,0,1)
34.87	2.5732	12.6	(1,0,-1,2)
34.87	2.5732	25.3	(0,1,-1,2)
34.87	2.5732	12.6	(1,0,-1,-2)
34.87	2.5732	12.6	(1,-1,0,2)
34.87	2.5732	12.6	(1,-1,0,-2)
41.89	2.1567	73.5	(1,1,-2,0)
41.89	2.1567	73.5	(2,-1,-1,0)
41.89	2.1567	73.5	(1,-2,1,0)
45.37	1.9991	42.2	(1,0,-1,3)
45.37	1.9991	42.2	(0,1,-1,3)
45.37	1.9991	84.5	(1,0,-1,-3)
45.37	1.9991	42.2	(1,-1,0,3)
45.37	1.9991	42.2	(1,-1,0,-3)
48.76	1.8678	12.5	(2,0,-2,0)
48.76	1.8678	12.5	(0,2,-2,0)
48.76	1.8677	12.5	(2,-2,0,0)
49.45	1.8432	27.5	(1,1,-2,2)

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Energy Properties

Formation Energy/atom

-0.22045

eV/atom

Energy/atom

-5.93107

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-8.1796

eV/atom

Volume/atom

9.53

Å³

c/a Ratio

1.6459

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

182.568

GPa

G_VRH

162.402

GPa

Young's Modulus E

375.781

GPa

Poisson Ratio ν

0.157

Pugh Ratio K/G

1.124

Vickers Hardness Est.

31.257

GPa

Ductility

Ductile

Anisotropy

0.013

Lame λ

74.300

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Be · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.703

Family

Binary Alloy

Matrix Element

Be · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0130

Homogeneous Poisson ν

0.1570

Debye Temperature

975.1

Sound Velocity

6,946.3

m/s

Homogeneity

0.1570

Related Tasks

Related computation task IDs (5)

aaadnaoy aaadsqby aaaempnq aaaetzzs aaafiyax

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30438

Reference Citation

The crystal structure and related material properties of Be2Cr were obtained from the Materials Project database (MP-ID: mp-30438, 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_Be2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31335148
_cell_length_b   4.31335078
_cell_length_c   7.09951696
_cell_angle_alpha   90.00000444
_cell_angle_beta   89.99997648
_cell_angle_gamma   119.99944678
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Cr
_chemical_formula_sum   'Be8 Cr4'
_cell_volume   114.39090100
_cell_formula_units_Z   4
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  0.00000000  -0.00000000  -0.00000046  1.0
  Be  Be1  1  0.00000000  -0.00000000  0.50000411  1.0
  Be  Be2  1  0.83164331  0.66328162  0.25004963  1.0
  Be  Be3  1  0.16835952  0.83164148  0.74993769  1.0
  Be  Be4  1  0.66328596  0.83164448  0.74993869  1.0
  Be  Be5  1  0.33671738  0.16835569  0.25004863  1.0
  Be  Be6  1  0.83164031  0.16836069  0.25004963  1.0
  Be  Be7  1  0.16835552  0.33671404  0.74993769  1.0
  Cr  Cr8  1  0.33333500  0.66666600  0.06442068  1.0
  Cr  Cr9  1  0.66666600  0.33333400  0.56449818  1.0
  Cr  Cr10  1  0.66666600  0.33333400  0.93554738  1.0
  Cr  Cr11  1  0.33333400  0.66666600  0.43556716  1.0

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