Ga3Bi

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-983237 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Ga3Bi

MP-ID

mp-983237

Elements

Sites

Density

7.4657

g/cm³

Volume

93.01

Å³

Cell a

4.5308

Cell b

4.5308

Cell c

4.5308

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 15)

2θ	d (Å)	I	hkl
19.59	4.5308	27.6	(1,0,0)
27.85	3.2037	24.4	(1,1,0)
34.28	2.6158	100.0	(1,1,1)
39.79	2.2654	50.0	(2,0,0)
44.73	2.0262	14.4	(2,1,0)
49.26	1.8497	11.0	(2,1,1)
57.54	1.6019	33.8	(2,2,0)
61.39	1.5103	7.4	(2,2,1)
65.10	1.4328	5.0	(3,1,0)
68.71	1.3661	39.7	(3,1,1)
72.23	1.3079	11.4	(2,2,2)
75.69	1.2566	3.4	(3,2,0)
79.09	1.2109	6.2	(3,2,1)
85.78	1.1327	5.6	(4,0,0)
89.10	1.0989	5.0	(3,2,2)

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Energy Properties

Formation Energy/atom

0.06906

eV/atom

Energy/atom

-23.13859

eV/atom

Energy above Hull

0.0725

eV/atom

Uncorrected Energy

-3.1711

eV/atom

Volume/atom

23.25

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

43.085

GPa

G_VRH

3.494

GPa

Young's Modulus E

10.206

GPa

Poisson Ratio ν

0.461

Pugh Ratio K/G

12.331

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

1.583

Lame λ

40.756

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 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

0.673

Family

Binary Alloy

Matrix Element

Ga · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.5830

Homogeneous Poisson ν

0.4610

Debye Temperature

81.4

Sound Velocity

780.5

m/s

Homogeneity

0.4610

Related Tasks

Related computation task IDs (5)

aaadcera aaadnwun aaadvzfv aaaetepx aaafxerw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-983237

Reference Citation

The crystal structure and related material properties of Ga3Bi were obtained from the Materials Project database (MP-ID: mp-983237, 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

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Raw CIF Data

# generated using pymatgen
data_Ga3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53075500
_cell_length_b   4.53075500
_cell_length_c   4.53075500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Bi
_chemical_formula_sum   'Ga3 Bi1'
_cell_volume   93.00616459
_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
  Ga  Ga0  1  0.00000000  0.50000000  0.50000000  1.0
  Ga  Ga1  1  0.50000000  0.00000000  0.50000000  1.0
  Ga  Ga2  1  0.50000000  0.50000000  0.00000000  1.0
  Bi  Bi3  1  0.00000000  0.00000000  0.00000000  1.0

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