UGa

Traditional Materials TRA

MP-ID: mp-669923 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

UGa

MP-ID

mp-669923

Elements

Sites

Density

12.8147

g/cm³

Volume

159.52

Å³

Cell a

5.4207

Cell b

5.4464

Cell c

6.0447

α Angle

90.00

β Angle

116.64

γ Angle

90.00

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
16.27	5.4464	35.6	(0,1,0)
18.31	4.8452	72.4	(1,0,-1)
23.19	3.8358	31.5	(0,1,1)
24.59	3.6201	1.2	(1,1,-1)
29.78	3.0001	6.3	(1,0,-2)
32.89	2.7232	61.3	(0,2,0)
33.05	2.7103	60.5	(2,0,-1)
33.16	2.7015	100.0	(0,0,2)
34.12	2.6278	4.0	(1,1,-2)
36.97	2.4318	8.9	(0,2,1)
37.05	2.4265	38.9	(2,1,-1)
37.11	2.4226	4.9	(2,0,-2)
37.11	2.4226	4.9	(2,0,0)
37.15	2.4202	8.1	(0,1,2)
37.90	2.3740	84.5	(1,2,-1)
40.76	2.2135	29.7	(2,1,-2)
40.76	2.2135	29.7	(2,1,0)
44.96	2.0164	28.7	(1,2,-2)
45.17	2.0075	16.6	(1,0,-3)
47.32	1.9210	21.2	(2,2,-1)
47.40	1.9179	42.3	(0,2,2)
47.52	1.9134	42.0	(2,0,-3)
48.32	1.8837	2.2	(1,1,-3)
48.32	1.8837	2.2	(1,1,2)

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Energy Properties

Formation Energy/atom

-0.03740

eV/atom

Energy/atom

-45.72981

eV/atom

Energy above Hull

0.2207

eV/atom

Uncorrected Energy

-7.0986

eV/atom

Volume/atom

19.94

Å³

c/a Ratio

1.1151

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.3276

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.027130

μB/Å³

Elastic Properties

Elastic data not available

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

0.477

Family

Binary Alloy

Matrix Element

U · 0.500

Related Tasks

Related computation task IDs (2)

aaadvdgs aaaeittq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-669923

Reference Citation

The crystal structure and related material properties of UGa were obtained from the Materials Project database (MP-ID: mp-669923, 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_UGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42065700
_cell_length_b   5.44644500
_cell_length_c   6.04471896
_cell_angle_alpha   90.00000000
_cell_angle_beta   116.63977172
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UGa
_chemical_formula_sum   'U4 Ga4'
_cell_volume   159.51536031
_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
  U  U0  1  0.00000000  0.00000000  0.00000000  1.0
  U  U1  1  0.00000000  0.50000000  0.00000000  1.0
  U  U2  1  0.76478000  0.00000000  0.52956000  1.0
  U  U3  1  0.23522000  0.00000000  0.47044000  1.0
  Ga  Ga4  1  0.50000000  0.74689300  0.00000000  1.0
  Ga  Ga5  1  0.50000000  0.25310700  0.00000000  1.0
  Ga  Ga6  1  0.00000000  0.50000000  0.50000000  1.0
  Ga  Ga7  1  0.50000000  0.50000000  0.50000000  1.0

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