GdCu2

Traditional Materials TRA

MP-ID: mp-1077933 · Space group: Imma (#74)

Materials Project API

Basic Information

Formula

GdCu2

MP-ID

mp-1077933

Elements

Sites

Density

8.7673

g/cm³

Volume

107.71

Å³

Cell a

4.3035

Cell b

5.4495

Cell c

5.4494

α Angle

78.32

β Angle

66.74

γ Angle

66.74

Space Group

Imma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

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
24.03	3.7037	40.0	(1,0,0)
24.48	3.6367	13.3	(0,1,1)
25.89	3.4412	5.8	(0,1,-1)
34.83	2.5758	18.6	(1,-1,0)
34.83	2.5758	18.6	(1,2,1)
34.83	2.5758	18.6	(1,0,-1)
34.83	2.5758	18.6	(1,1,2)
35.61	2.5210	100.0	(1,-1,1)
35.61	2.5210	50.0	(1,1,-1)
35.61	2.5210	50.0	(1,0,2)
35.93	2.4996	39.9	(0,2,0)
35.93	2.4995	39.9	(0,0,2)
39.40	2.2867	11.3	(0,2,1)
39.40	2.2867	11.3	(0,1,2)
41.26	2.1879	16.2	(0,2,-1)
41.26	2.1878	16.2	(0,1,-2)
41.99	2.1517	65.0	(2,1,1)
42.81	2.1123	42.6	(1,-1,-1)
42.81	2.1123	42.6	(1,2,2)
49.20	1.8519	2.2	(2,0,0)
49.20	1.8519	2.2	(2,2,2)
49.99	1.8244	2.3	(2,2,0)
53.24	1.7206	12.8	(0,2,-2)
55.11	1.6664	4.7	(0,3,0)

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Energy Properties

Formation Energy/atom

-0.20079

eV/atom

Energy/atom

-21.89765

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.8977

eV/atom

Volume/atom

17.95

Å³

c/a Ratio

1.2663

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.7987

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.137390

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.868

Family

Cu-based Alloy

Matrix Element

Cu · 0.667

Related Tasks

Related computation task IDs (5)

aaadmukn aaadsykk aaaeldzx aaaeuqgg aaafsahv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1077933

Reference Citation

The crystal structure and related material properties of GdCu2 were obtained from the Materials Project database (MP-ID: mp-1077933, 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_GdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30344967
_cell_length_b   5.44952432
_cell_length_c   5.44942768
_cell_angle_alpha   78.31667868
_cell_angle_beta   66.74318282
_cell_angle_gamma   66.74361951
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdCu2
_chemical_formula_sum   'Gd2 Cu4'
_cell_volume   107.70953982
_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  0.54336593  0.70663580  0.20663035  1.0
  Gd  Gd1  1  0.45663407  0.29336420  0.79336965  1.0
  Cu  Cu2  1  0.16499416  0.28101502  0.38899767  1.0
  Cu  Cu3  1  0.83500584  0.71898498  0.61100233  1.0
  Cu  Cu4  1  0.83500333  0.11100210  0.21899224  1.0
  Cu  Cu5  1  0.16499667  0.88899790  0.78100776  1.0

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