UBi

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018042 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

UBi

MP-ID

mp-1018042

Elements

Sites

Density

13.2135

g/cm³

Volume

56.18

Å³

Cell a

3.8299

Cell b

3.8299

Cell c

3.8299

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

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 6)

2θ	d (Å)	I	hkl
33.08	2.7081	100.0	(1,1,0)
47.48	1.9149	18.7	(2,0,0)
59.08	1.5635	39.7	(2,1,1)
69.41	1.3541	12.6	(2,2,0)
79.07	1.2111	18.0	(3,1,0)
88.42	1.1056	4.8	(2,2,2)

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Energy Properties

Formation Energy/atom

-0.06263

eV/atom

Energy/atom

-69.28478

eV/atom

Energy above Hull

0.1117

eV/atom

Uncorrected Energy

-7.4790

eV/atom

Volume/atom

28.09

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.9983

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.053370

μB/Å³

Elastic Properties

K_VRH

75.465

GPa

G_VRH

21.893

GPa

Young's Modulus E

59.888

GPa

Poisson Ratio ν

0.368

Pugh Ratio K/G

3.447

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.006

Lame λ

60.870

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

U · 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

0.550

Family

Binary Alloy

Matrix Element

U · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0060

Homogeneous Poisson ν

0.3680

Debye Temperature

183.0

Sound Velocity

1,450.7

m/s

Homogeneity

0.3680

Related Tasks

Related computation task IDs (5)

aaacihbo aaadrixu aaadyddw aaaetriw aaafboqw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018042

Reference Citation

The crystal structure and related material properties of UBi were obtained from the Materials Project database (MP-ID: mp-1018042, 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_UBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82986100
_cell_length_b   3.82986100
_cell_length_c   3.82986100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UBi
_chemical_formula_sum   'U1 Bi1'
_cell_volume   56.17577029
_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
  U  U0  1  0.00000000  0.00000000  0.00000000  1.0
  Bi  Bi1  1  0.50000000  0.50000000  0.50000000  1.0

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