Gd3Lu

Traditional Materials TRA

MP-ID: mp-1184496 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Gd3Lu

MP-ID

mp-1184496

Elements

Sites

Density

8.4915

g/cm³

Volume

252.94

Å³

Cell a

7.1505

Cell b

7.1505

Cell c

5.7123

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

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 19)

2θ	d (Å)	I	hkl
28.84	3.0962	23.5	(2,0,-2,0)
31.32	2.8562	25.3	(0,0,0,2)
32.90	2.7221	100.0	(2,0,-2,1)
43.09	2.0994	10.6	(2,0,-2,2)
43.09	2.0994	5.3	(2,-2,0,2)
51.09	1.7876	19.4	(4,-2,-2,0)
56.76	1.6220	21.3	(2,0,-2,3)
59.73	1.5481	3.0	(4,0,-4,0)
61.16	1.5153	22.6	(4,-2,-2,2)
62.12	1.4942	16.2	(4,0,-4,1)
65.34	1.4281	3.1	(0,0,0,4)
69.00	1.3610	3.9	(4,0,-4,2)
72.95	1.2968	2.2	(2,0,-2,4)
72.95	1.2968	1.1	(2,-2,0,4)
79.85	1.2012	7.9	(4,0,-4,3)
82.41	1.1703	1.6	(6,-2,-4,0)
84.51	1.1465	9.3	(6,-2,-4,1)
84.51	1.1465	4.6	(6,-4,-2,1)
87.41	1.1158	8.7	(4,-2,-2,4)

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Energy Properties

Formation Energy/atom

-0.00501

eV/atom

Energy/atom

-11.69252

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.6925

eV/atom

Volume/atom

31.62

Å³

c/a Ratio

0.7989

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

46.8875

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.185370

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

0.641

Family

Binary Alloy

Matrix Element

Gd · 0.750

Related Tasks

Related computation task IDs (2)

aaadbgvh aaaduahw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184496

Reference Citation

The crystal structure and related material properties of Gd3Lu were obtained from the Materials Project database (MP-ID: mp-1184496, 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_Gd3Lu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15044970
_cell_length_b   7.15044970
_cell_length_c   5.71233800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999721
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3Lu
_chemical_formula_sum   'Gd6 Lu2'
_cell_volume   252.93635303
_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  0.83218600  0.16781400  0.75000000  1.0
  Gd  Gd1  1  0.33562800  0.16781400  0.75000000  1.0
  Gd  Gd2  1  0.83218600  0.66437200  0.75000000  1.0
  Gd  Gd3  1  0.16781400  0.83218600  0.25000000  1.0
  Gd  Gd4  1  0.66437200  0.83218600  0.25000000  1.0
  Gd  Gd5  1  0.16781400  0.33562800  0.25000000  1.0
  Lu  Lu6  1  0.66666700  0.33333300  0.25000000  1.0
  Lu  Lu7  1  0.33333300  0.66666700  0.75000000  1.0

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