LaGd3

Traditional Materials TRA

MP-ID: mp-1185460 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

LaGd3

MP-ID

mp-1185460

Elements

Sites

Density

7.1590

g/cm³

Volume

283.28

Å³

Cell a

7.4136

Cell b

7.4135

Cell c

5.9516

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
27.79	3.2102	23.4	(2,0,-2,0)
27.79	3.2102	23.4	(0,2,-2,0)
27.79	3.2101	23.4	(2,-2,0,0)
30.03	2.9758	76.9	(0,0,0,2)
31.67	2.8254	100.0	(2,0,-2,1)
31.67	2.8254	100.0	(0,2,-2,1)
31.67	2.8254	100.0	(2,-2,0,1)
41.37	2.1824	16.1	(2,0,-2,2)
41.37	2.1824	16.1	(0,2,-2,2)
41.37	2.1824	16.1	(2,-2,0,2)
49.16	1.8534	19.4	(2,2,-4,0)
49.16	1.8534	19.4	(4,-2,-2,0)
49.16	1.8534	19.4	(2,-4,2,0)
54.36	1.6876	21.8	(2,0,-2,3)
54.36	1.6876	21.8	(0,2,-2,3)
54.36	1.6876	21.8	(2,-2,0,3)
57.41	1.6051	3.0	(4,0,-4,0)
57.41	1.6051	3.0	(0,4,-4,0)
57.41	1.6051	3.0	(4,-4,0,0)
58.68	1.5732	22.8	(2,2,-4,2)
58.69	1.5732	22.8	(4,-2,-2,2)
58.69	1.5732	22.8	(2,-4,2,2)
59.66	1.5497	16.2	(4,0,-4,1)
59.66	1.5497	16.2	(0,4,-4,1)

Get direct link

Energy Properties

Formation Energy/atom

0.01375

eV/atom

Energy/atom

-39.97019

eV/atom

Energy above Hull

0.0138

eV/atom

Uncorrected Energy

-39.9702

eV/atom

Volume/atom

35.41

Å³

c/a Ratio

0.8028

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

49.2569

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.173880

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

0.712

Family

Binary Alloy

Matrix Element

Gd · 0.750

Related Tasks

Related computation task IDs (2)

aaadvgom aaaekwls

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1185460

Reference Citation

The crystal structure and related material properties of LaGd3 were obtained from the Materials Project database (MP-ID: mp-1185460, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_LaGd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41355774
_cell_length_b   7.41351739
_cell_length_c   5.95163077
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99876362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGd3
_chemical_formula_sum   'La2 Gd6'
_cell_volume   283.28462737
_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
  La  La0  1  0.66666873  0.33333590  0.25000000  1.0
  La  La1  1  0.33333127  0.66666410  0.75000000  1.0
  Gd  Gd2  1  0.83736603  0.16263467  0.75000000  1.0
  Gd  Gd3  1  0.32526867  0.16263590  0.75000000  1.0
  Gd  Gd4  1  0.83736516  0.67473191  0.75000000  1.0
  Gd  Gd5  1  0.16263397  0.83736533  0.25000000  1.0
  Gd  Gd6  1  0.67473133  0.83736410  0.25000000  1.0
  Gd  Gd7  1  0.16263484  0.32526809  0.25000000  1.0

Get direct link