U3Ga5

Traditional Materials TRA

MP-ID: mp-669688 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

U3Ga5

MP-ID

mp-669688

Elements

Sites

Density

10.6606

g/cm³

Volume

331.06

Å³

Cell a

5.9999

Cell b

5.9999

Cell c

9.3724

α Angle

90.00

β Angle

90.00

γ Angle

101.12

Space Group

Cmcm

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
17.79	4.9853	6.0	(1,0,1)
18.94	4.6862	3.6	(0,0,2)
19.15	4.6335	1.5	(1,-1,0)
23.34	3.8117	10.5	(1,1,0)
24.28	3.6665	16.6	(1,0,2)
25.22	3.5309	6.9	(1,1,1)
27.06	3.2949	49.1	(1,-1,2)
30.22	2.9570	34.6	(1,1,2)
30.36	2.9436	20.7	(2,0,0)
31.24	2.8629	28.0	(2,-1,0)
31.87	2.8084	21.0	(2,0,1)
32.44	2.7597	17.4	(1,0,3)
32.71	2.7380	13.1	(2,-1,1)
36.03	2.4927	100.0	(2,0,2)
36.67	2.4507	26.2	(2,1,0)
36.79	2.4431	16.6	(2,-1,2)
37.21	2.4163	7.1	(1,1,3)
37.95	2.3710	6.6	(2,1,1)
38.42	2.3431	40.6	(0,0,4)
38.87	2.3168	27.0	(2,-2,0)
42.18	2.1424	19.1	(2,0,3)
42.85	2.1107	20.3	(2,-1,3)
43.27	2.0910	2.8	(1,-1,4)
45.44	1.9961	7.5	(1,1,4)

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Energy Properties

Formation Energy/atom

-0.20014

eV/atom

Energy/atom

-37.33014

eV/atom

Energy above Hull

0.1225

eV/atom

Uncorrected Energy

-6.2038

eV/atom

Volume/atom

20.69

Å³

c/a Ratio

1.5621

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.2384

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.043010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.518

Family

Binary Alloy

Matrix Element

Ga · 0.625

Related Tasks

Related computation task IDs (4)

aaadpezu aaadraum aaadyywd aaaeskpr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-669688

Reference Citation

The crystal structure and related material properties of U3Ga5 were obtained from the Materials Project database (MP-ID: mp-669688, 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_U3Ga5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99985113
_cell_length_b   5.99985113
_cell_length_c   9.37241800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.11595389
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U3Ga5
_chemical_formula_sum   'U6 Ga10'
_cell_volume   331.06053117
_cell_formula_units_Z   2
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  0.36986100  0.36986100  0.75000000  1.0
  U  U1  1  0.78947900  0.21052100  0.00000000  1.0
  U  U2  1  0.63013900  0.63013900  0.25000000  1.0
  U  U3  1  0.21052100  0.78947900  0.50000000  1.0
  U  U4  1  0.78947900  0.21052100  0.50000000  1.0
  U  U5  1  0.21052100  0.78947900  0.00000000  1.0
  Ga  Ga6  1  0.98300700  0.98300700  0.75000000  1.0
  Ga  Ga7  1  0.70129000  0.70129000  0.94417900  1.0
  Ga  Ga8  1  0.51209400  0.92787300  0.75000000  1.0
  Ga  Ga9  1  0.29871000  0.29871000  0.44417900  1.0
  Ga  Ga10  1  0.07212700  0.48790600  0.25000000  1.0
  Ga  Ga11  1  0.01699300  0.01699300  0.25000000  1.0
  Ga  Ga12  1  0.29871000  0.29871000  0.05582100  1.0
  Ga  Ga13  1  0.48790600  0.07212700  0.25000000  1.0
  Ga  Ga14  1  0.70129000  0.70129000  0.55582100  1.0
  Ga  Ga15  1  0.92787300  0.51209400  0.75000000  1.0

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