Gd5Pb3

Traditional Materials TRA

MP-ID: mp-1106250 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Gd5Pb3

MP-ID

mp-1106250

Elements

Sites

Density

9.6139

g/cm³

Volume

486.34

Å³

Cell a

9.1906

Cell b

9.1906

Cell c

6.6484

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
11.12	7.9593	10.2	(1,0,-1,0)
11.12	7.9593	10.2	(0,1,-1,0)
11.12	7.9593	10.2	(1,-1,0,0)
19.32	4.5953	3.3	(1,1,-2,0)
19.32	4.5953	3.3	(2,-1,-1,0)
19.32	4.5953	3.3	(1,-2,1,0)
23.53	3.7802	6.4	(1,1,-2,-1)
23.53	3.7802	6.4	(1,1,-2,1)
23.53	3.7802	6.4	(2,-1,-1,-1)
23.53	3.7802	12.9	(2,-1,-1,1)
23.53	3.7802	6.4	(1,-2,1,1)
26.82	3.3242	100.0	(0,0,0,2)
29.11	3.0674	6.6	(1,0,-1,-2)
29.11	3.0674	19.8	(1,0,-1,2)
29.11	3.0674	6.6	(1,-1,0,-2)
29.11	3.0674	6.6	(1,-1,0,2)
29.70	3.0084	16.3	(2,1,-3,0)
29.70	3.0084	16.3	(1,2,-3,0)
29.70	3.0083	16.3	(3,-1,-2,0)
29.70	3.0083	16.3	(1,-3,2,0)
29.70	3.0083	16.3	(3,-2,-1,0)
29.70	3.0083	16.3	(2,-3,1,0)
32.67	2.7408	34.6	(2,1,-3,-1)
32.67	2.7408	34.6	(2,1,-3,1)

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Energy Properties

Formation Energy/atom

-0.64799

eV/atom

Energy/atom

-48.87804

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-48.8780

eV/atom

Volume/atom

30.40

Å³

c/a Ratio

0.7234

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

11.9368

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.024540

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Gd · 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

0.679

Family

Binary Alloy

Matrix Element

Gd · 0.625

Related Tasks

Related computation task IDs (5)

aaadpenq aaadtjpb aaaetlhd aaafodqo aaagizzn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1106250

Reference Citation

The crystal structure and related material properties of Gd5Pb3 were obtained from the Materials Project database (MP-ID: mp-1106250, 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_Gd5Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19060646
_cell_length_b   9.19059255
_cell_length_c   6.64838489
_cell_angle_alpha   89.99995774
_cell_angle_beta   90.00005953
_cell_angle_gamma   119.99957927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd5Pb3
_chemical_formula_sum   'Gd10 Pb6'
_cell_volume   486.33587795
_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
  Gd  Gd0  1  0.66666578  0.33333310  0.00000089  1.0
  Gd  Gd1  1  0.33333293  0.66666608  -0.00000018  1.0
  Gd  Gd2  1  0.33333387  0.66666812  0.49999962  1.0
  Gd  Gd3  1  0.66666317  0.33333001  0.50000061  1.0
  Gd  Gd4  1  0.76069665  0.76069843  0.75000002  1.0
  Gd  Gd5  1  0.23930319  -0.00000035  0.75000004  1.0
  Gd  Gd6  1  0.00000073  0.23930254  0.74999893  1.0
  Gd  Gd7  1  0.23930286  0.23930251  0.24999939  1.0
  Gd  Gd8  1  0.76069765  -0.00000003  0.24999868  1.0
  Gd  Gd9  1  0.00000164  0.76069854  0.25000146  1.0
  Pb  Pb10  1  0.39127096  0.39127154  0.75000099  1.0
  Pb  Pb11  1  0.60873163  0.00000074  0.75000064  1.0
  Pb  Pb12  1  -0.00000315  0.60872886  0.74999973  1.0
  Pb  Pb13  1  0.60873327  0.60873161  0.25000001  1.0
  Pb  Pb14  1  0.39127066  0.99999886  0.24999832  1.0
  Pb  Pb15  1  -0.00000184  0.39126943  0.25000085  1.0

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