DyBRh3

高熵材料 HEA 传统材料 TRA 弹性数据 ELA

MP-ID: mp-3183 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

DyBRh3

MP-ID

mp-3183

Elements

Sites

Density

11.0148

g/cm³

Volume

72.67

Å³

Cell a

4.1730

Cell b

4.1730

Cell c

4.1730

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.5236

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
21.29	4.1730	2.6	(1,0,0)
30.29	2.9508	4.6	(1,1,0)
37.32	2.4093	100.0	(1,1,1)
43.37	2.0865	52.2	(2,0,0)
48.80	1.8662	1.5	(2,1,0)
53.81	1.7036	1.9	(2,1,1)
63.00	1.4754	33.8	(2,2,0)
75.57	1.2582	37.4	(3,1,1)
79.58	1.2046	11.5	(2,2,2)
87.46	1.1153	1.0	(3,2,1)

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Energy Properties

Formation Energy/atom

-0.79370

eV/atom

Energy/atom

-7.47184

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.2086

eV/atom

Volume/atom

14.53

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6676

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.009190

μB/Å³

Elastic Properties

K_VRH

183.388

GPa

G_VRH

86.089

GPa

Young's Modulus E

223.322

GPa

Poisson Ratio ν

0.297

Pugh Ratio K/G

2.130

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

0.365

Lame λ

125.995

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.600

Element Family

N/A

Solute Fraction

0.400

Interstitial Fraction

0.200

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.534

Family

Interstitial Alloy

Matrix Element

Rh · 0.600

Related Tasks

Related computation task IDs (5)

aaadmvyq aaadslkf aaaeimfp aaaeuqbu aaafiict

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3183

Reference Citation

The crystal structure and related material properties of DyBRh3 were obtained from the Materials Project database (MP-ID: mp-3183, 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_DyBRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17299336
_cell_length_b   4.17299336
_cell_length_c   4.17299336
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyBRh3
_chemical_formula_sum   'Dy1 B1 Rh3'
_cell_volume   72.66797883
_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
  Dy  Dy0  1  0.00000000  0.00000000  0.00000000  1.0
  B  B1  1  0.50000000  0.50000000  0.50000000  1.0
  Rh  Rh2  1  0.00000000  0.50000000  0.50000000  1.0
  Rh  Rh3  1  0.50000000  0.50000000  0.00000000  1.0
  Rh  Rh4  1  0.50000000  0.00000000  0.50000000  1.0

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