Gd3Cd

Traditional Materials TRA

MP-ID: mp-1184421 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Gd3Cd

MP-ID

mp-1184421

Elements

Sites

Density

8.1539

g/cm³

Volume

237.93

Å³

Cell a

6.9636

Cell b

6.9635

Cell c

5.6658

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

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
21.52	4.1293	2.1	(1,0,-1,1)
21.52	4.1293	4.2	(1,-1,0,1)
29.63	3.0153	23.3	(2,0,-2,0)
29.63	3.0153	23.3	(0,2,-2,0)
29.63	3.0153	23.3	(2,-2,0,0)
31.58	2.8329	79.3	(0,0,0,2)
33.67	2.6618	100.0	(2,0,-2,1)
33.67	2.6618	100.0	(0,2,-2,1)
33.67	2.6618	100.0	(2,-2,0,1)
43.85	2.0646	16.0	(2,0,-2,2)
43.85	2.0646	16.0	(0,2,-2,2)
43.85	2.0646	16.0	(2,-2,0,2)
52.57	1.7409	18.6	(2,2,-4,0)
52.57	1.7409	18.6	(4,-2,-2,0)
52.57	1.7409	18.6	(2,-4,2,0)
57.59	1.6006	21.3	(2,0,-2,3)
57.59	1.6006	21.3	(0,2,-2,3)
57.59	1.6006	21.3	(2,-2,0,3)
61.51	1.5077	2.9	(4,0,-4,0)
61.51	1.5077	2.9	(0,4,-4,0)
61.51	1.5077	2.9	(4,-4,0,0)
62.63	1.4832	21.8	(2,2,-4,2)
62.63	1.4832	21.8	(4,-2,-2,2)
62.63	1.4832	21.8	(2,-4,2,2)

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Energy Properties

Formation Energy/atom

-0.13212

eV/atom

Energy/atom

-37.70612

eV/atom

Energy above Hull

0.0463

eV/atom

Uncorrected Energy

-37.7061

eV/atom

Volume/atom

29.74

Å³

c/a Ratio

0.8136

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

48.6901

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.204640

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Gd · 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

0.611

Family

Binary Alloy

Matrix Element

Gd · 0.750

Related Tasks

Related computation task IDs (4)

aaadojyu aaadvgrs aaaemehz aaaeqhyg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184421

Reference Citation

The crystal structure and related material properties of Gd3Cd were obtained from the Materials Project database (MP-ID: mp-1184421, 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_Gd3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96356833
_cell_length_b   6.96349563
_cell_length_c   5.66574874
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99959941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3Cd
_chemical_formula_sum   'Gd6 Cd2'
_cell_volume   237.92980246
_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  0.17044370  0.34088801  0.25000000  1.0
  Gd  Gd1  1  0.65910929  0.82955565  0.25000000  1.0
  Gd  Gd2  1  0.17044470  0.82955669  0.25000000  1.0
  Gd  Gd3  1  0.82955630  0.65911199  0.75000000  1.0
  Gd  Gd4  1  0.34089071  0.17044435  0.75000000  1.0
  Gd  Gd5  1  0.82955530  0.17044331  0.75000000  1.0
  Cd  Cd6  1  0.33333046  0.66666623  0.75000000  1.0
  Cd  Cd7  1  0.66666954  0.33333377  0.25000000  1.0

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