SrCu

Traditional Materials TRA

MP-ID: mp-1025402 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

SrCu

MP-ID

mp-1025402

Elements

Sites

Density

4.0180

g/cm³

Volume

249.90

Å³

Cell a

4.2792

Cell b

4.2792

Cell c

15.7581

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 24)

2θ	d (Å)	I	hkl
11.23	7.8791	100.0	(0,0,0,2)
22.57	3.9395	1.6	(0,0,0,4)
24.01	3.7059	5.9	(1,0,-1,0)
24.01	3.7059	3.0	(1,-1,0,0)
24.68	3.6075	8.0	(1,0,-1,1)
24.68	3.6075	4.0	(1,-1,0,1)
26.58	3.3535	4.8	(1,0,-1,2)
26.58	3.3535	2.4	(1,-1,0,2)
29.50	3.0281	75.4	(1,0,-1,3)
29.50	3.0281	37.7	(1,-1,0,3)
33.19	2.6993	40.6	(1,0,-1,4)
34.14	2.6264	10.9	(0,0,0,6)
37.46	2.4008	47.0	(1,0,-1,5)
42.24	2.1396	22.6	(1,1,-2,0)
42.24	2.1396	45.3	(2,-1,-1,0)
43.85	2.0648	7.0	(1,1,-2,2)
43.85	2.0648	13.9	(2,-1,-1,2)
46.08	1.9698	17.2	(0,0,0,8)
47.24	1.9240	4.0	(1,0,-1,7)
49.53	1.8403	1.2	(2,0,-2,1)
52.36	1.7474	14.6	(2,0,-2,3)
52.36	1.7474	7.3	(2,-2,0,3)
52.62	1.7393	1.3	(1,0,-1,8)
54.75	1.6767	6.3	(2,0,-2,4)

Get direct link

Energy Properties

Formation Energy/atom

-0.05950

eV/atom

Energy/atom

-13.05573

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.0557

eV/atom

Volume/atom

31.24

Å³

c/a Ratio

3.6825

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

Sr · 0.500

Related Tasks

Related computation task IDs (5)

aaadndcv aaadsuqi aaaeldxv aaaerjkg aaafiwjc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025402

Reference Citation

The crystal structure and related material properties of SrCu were obtained from the Materials Project database (MP-ID: mp-1025402, 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_SrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27919280
_cell_length_b   4.27919280
_cell_length_c   15.75811740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu
_chemical_formula_sum   'Sr4 Cu4'
_cell_volume   249.89567569
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.66666700  0.33333300  0.37844362  1.0
  Sr  Sr1  1  0.33333300  0.66666700  0.62155638  1.0
  Sr  Sr2  1  0.33333300  0.66666700  0.87844362  1.0
  Sr  Sr3  1  0.66666700  0.33333300  0.12155638  1.0
  Cu  Cu4  1  0.66666700  0.33333300  0.75000000  1.0
  Cu  Cu5  1  0.33333300  0.66666700  0.25000000  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.75000000  1.0
  Cu  Cu7  1  -0.00000000  0.00000000  0.25000000  1.0

Get direct link