GdCu5

Traditional Materials TRA

MP-ID: mp-636253 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

GdCu5

MP-ID

mp-636253

Elements

Sites

Density

8.9458

g/cm³

Volume

88.17

Å³

Cell a

5.0168

Cell b

5.0146

Cell c

4.0462

α Angle

90.00

β Angle

90.00

γ Angle

119.99

Space Group

P6/mmm

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
21.97	4.0462	15.3	(0,0,0,1)
30.18	2.9612	45.9	(1,0,-1,1)
30.19	2.9606	46.3	(0,1,-1,1)
30.19	2.9606	46.3	(1,-1,0,1)
35.80	2.5084	30.8	(1,1,-2,0)
35.80	2.5084	30.8	(2,-1,-1,0)
35.81	2.5073	30.8	(1,-2,1,0)
41.57	2.1726	34.9	(2,0,-2,0)
41.58	2.1717	34.5	(0,2,-2,0)
41.58	2.1717	34.6	(2,-2,0,0)
42.40	2.1320	100.0	(1,1,-2,1)
42.40	2.1320	100.0	(2,-1,-1,1)
42.41	2.1313	99.9	(1,-2,1,1)
44.80	2.0231	80.9	(0,0,0,2)
47.50	1.9142	7.5	(2,0,-2,1)
47.52	1.9135	7.7	(0,2,-2,1)
47.52	1.9135	7.7	(2,-2,0,1)
58.62	1.5748	14.4	(1,1,-2,2)
58.62	1.5748	14.4	(2,-1,-1,2)
58.63	1.5745	14.4	(1,-2,1,2)
60.88	1.5217	6.2	(2,1,-3,1)
60.88	1.5217	6.2	(3,-1,-2,1)
60.89	1.5215	6.4	(1,2,-3,1)
60.89	1.5215	6.4	(3,-2,-1,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.16583

eV/atom

Energy/atom

-16.43766

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.4377

eV/atom

Volume/atom

14.69

Å³

c/a Ratio

0.8065

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.4681

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.084700

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.833

Element Family

N/A

Solute Fraction

0.167

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.877

Family

Cu-based Alloy

Matrix Element

Cu · 0.833

Related Tasks

Related computation task IDs (5)

aaadmqhf aaadrbwa aaaemqox aaaeukzd aaafjklt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-636253

Reference Citation

The crystal structure and related material properties of GdCu5 were obtained from the Materials Project database (MP-ID: mp-636253, 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_GdCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01677313
_cell_length_b   5.01463760
_cell_length_c   4.04620881
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.98572567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdCu5
_chemical_formula_sum   'Gd1 Cu5'
_cell_volume   88.16686278
_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
  Gd  Gd0  1  0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.66604808  0.33301373  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.33395192  0.66698627  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.00000000  0.50000000  1.0

Get direct link