Ga3Pd7

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-31467 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Ga3Pd7

MP-ID

mp-31467

Elements

Sites

Density

10.7763

g/cm³

Volume

147.02

Å³

Cell a

4.0756

Cell b

5.4834

Cell c

7.1120

α Angle

104.45

β Angle

106.65

γ Angle

90.00

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
22.84	3.8931	1.4	(1,0,-1)
31.69	2.8235	4.2	(1,-1,1)
31.69	2.8235	4.2	(1,1,-2)
35.69	2.5157	8.8	(0,1,2)
37.10	2.4232	3.9	(1,-1,-2)
37.10	2.4232	3.9	(1,1,1)
37.66	2.3883	10.5	(0,2,-2)
39.67	2.2719	40.7	(1,-2,0)
39.67	2.2719	40.7	(1,2,-1)
39.88	2.2603	13.3	(0,2,1)
40.21	2.2430	6.3	(0,1,-3)
40.64	2.2200	11.7	(1,-1,2)
40.82	2.2107	100.0	(1,0,-3)
41.38	2.1820	13.1	(1,-2,1)
41.38	2.1820	13.1	(1,2,-2)
42.76	2.1146	10.2	(1,-2,-1)
42.76	2.1145	10.2	(1,2,0)
44.46	2.0378	50.0	(2,0,-1)
46.38	1.9577	22.9	(0,2,-3)
47.94	1.8977	2.2	(1,-1,-3)
47.94	1.8977	2.2	(1,1,2)
49.50	1.8413	15.9	(0,2,2)
52.04	1.7574	3.1	(0,3,-2)
53.90	1.7012	1.8	(0,1,-4)

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Energy Properties

Formation Energy/atom

-0.58830

eV/atom

Energy/atom

-20.09345

eV/atom

Energy above Hull

0.0009

eV/atom

Uncorrected Energy

-20.0934

eV/atom

Volume/atom

14.70

Å³

c/a Ratio

1.7450

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

150.991

GPa

G_VRH

50.274

GPa

Young's Modulus E

135.755

GPa

Poisson Ratio ν

0.350

Pugh Ratio K/G

3.003

Vickers Hardness Est.

2.464

GPa

Ductility

Brittle

Anisotropy

0.203

Lame λ

117.475

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.700

Element Family

N/A

Solute Fraction

0.300

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.722

Family

Binary Alloy

Matrix Element

Pd · 0.700

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2030

Homogeneous Poisson ν

0.3500

Debye Temperature

295.1

Sound Velocity

2,428.5

m/s

Homogeneity

0.3500

Related Tasks

Related computation task IDs (5)

aaadndiu aaadsugx aaaeljtw aaaetzjr aaafivsr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31467

Reference Citation

The crystal structure and related material properties of Ga3Pd7 were obtained from the Materials Project database (MP-ID: mp-31467, 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_Ga3Pd7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07557031
_cell_length_b   5.48343298
_cell_length_c   7.11197820
_cell_angle_alpha   104.44955767
_cell_angle_beta   106.65023886
_cell_angle_gamma   90.00001730
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Pd7
_chemical_formula_sum   'Ga3 Pd7'
_cell_volume   147.01992991
_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  -0.00000000  0.00000000  1.0
  Ga  Ga1  1  0.80876698  0.33643300  0.61753097  1.0
  Ga  Ga2  1  0.19123302  0.66356700  0.38246903  1.0
  Pd  Pd3  1  -0.00000000  0.50000000  0.00000000  1.0
  Pd  Pd4  1  0.79379975  0.86218961  0.58759850  1.0
  Pd  Pd5  1  0.20620025  0.13781039  0.41240150  1.0
  Pd  Pd6  1  0.62633529  0.38770654  0.25267058  1.0
  Pd  Pd7  1  0.37366471  0.61229346  0.74732942  1.0
  Pd  Pd8  1  0.58170054  0.85728085  0.16340208  1.0
  Pd  Pd9  1  0.41829946  0.14271915  0.83659792  1.0

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