YbU3

Traditional Materials TRA

MP-ID: mp-981662 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

YbU3

MP-ID

mp-981662

Elements

Sites

Density

16.3162

g/cm³

Volume

90.29

Å³

Cell a

4.4861

Cell b

4.4861

Cell c

4.4861

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 8)

2θ	d (Å)	I	hkl
19.79	4.4861	1.2	(1,0,0)
28.13	3.1722	1.1	(1,1,0)
34.63	2.5901	100.0	(1,1,1)
40.20	2.2431	50.2	(2,0,0)
58.16	1.5861	35.0	(2,2,0)
69.49	1.3526	42.1	(3,1,1)
73.07	1.2950	12.3	(2,2,2)
86.85	1.1215	6.2	(4,0,0)

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Energy Properties

Formation Energy/atom

0.57137

eV/atom

Energy/atom

-68.51750

eV/atom

Energy above Hull

0.5714

eV/atom

Uncorrected Energy

-68.5175

eV/atom

Volume/atom

22.57

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0030

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

U · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Binary Alloy

Matrix Element

U · 0.750

Related Tasks

Related computation task IDs (5)

aaadobuk aaadunyh aaaesful aaafxfcf aaahbaok

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-981662

Reference Citation

The crystal structure and related material properties of YbU3 were obtained from the Materials Project database (MP-ID: mp-981662, 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_YbU3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48613025
_cell_length_b   4.48613025
_cell_length_c   4.48613025
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbU3
_chemical_formula_sum   'Yb1 U3'
_cell_volume   90.28500721
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.00000000  1.0
  U  U1  1  0.00000000  0.50000000  0.50000000  1.0
  U  U2  1  0.50000000  0.00000000  0.50000000  1.0
  U  U3  1  0.50000000  0.50000000  0.00000000  1.0

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