Cu5O7

Traditional Materials TRA

MP-ID: mp-1045868 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Cu5O7

MP-ID

mp-1045868

Elements

Sites

Density

5.5678

g/cm³

Volume

256.32

Å³

Cell a

5.1267

Cell b

5.1267

Cell c

17.8794

α Angle

90.00

β Angle

90.00

γ Angle

146.94

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
9.89	8.9397	100.0	(0,0,2)
18.05	4.9149	11.2	(1,-1,0)
18.72	4.7391	4.9	(1,-1,1)
19.86	4.4699	10.3	(0,0,4)
20.62	4.3069	14.6	(1,-1,2)
29.99	2.9799	3.4	(0,0,6)
30.93	2.8915	9.4	(1,-1,5)
32.01	2.7964	5.2	(1,0,0)
32.41	2.7628	5.8	(1,0,1)
33.58	2.6689	20.8	(1,0,2)
35.22	2.5481	56.9	(1,-1,6)
35.46	2.5316	16.4	(1,0,3)
36.57	2.4574	18.6	(2,-2,0)
36.92	2.4345	2.1	(2,-2,1)
37.95	2.3707	13.9	(1,0,4)
37.97	2.3695	3.8	(2,-2,2)
39.67	2.2719	1.9	(2,-2,3)
39.77	2.2664	7.1	(1,-1,7)
40.97	2.2028	8.1	(1,0,5)
41.77	2.1627	16.0	(2,-1,1)
42.72	2.1167	31.7	(2,-1,2)
44.27	2.0462	30.1	(2,-1,3)
44.43	2.0391	1.4	(1,0,6)
44.54	2.0345	16.6	(1,-1,8)

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Energy Properties

Formation Energy/atom

-0.67965

eV/atom

Energy/atom

-5.27396

eV/atom

Energy above Hull

0.1874

eV/atom

Uncorrected Energy

-4.8732

eV/atom

Volume/atom

10.68

Å³

c/a Ratio

3.4875

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.6155

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.014110

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.583

Element Family

N/A

Solute Fraction

0.417

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.534

Family

Binary Alloy

Matrix Element

O · 0.583

Related Tasks

Related computation task IDs (2)

aaachnfj aaaefzxt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1045868

Reference Citation

The crystal structure and related material properties of Cu5O7 were obtained from the Materials Project database (MP-ID: mp-1045868, 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_Cu5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12667874
_cell_length_b   5.12667874
_cell_length_c   17.87939700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.94426701
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu5O7
_chemical_formula_sum   'Cu10 O14'
_cell_volume   256.32068888
_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
  Cu  Cu0  1  0.73262300  0.26737700  0.57461100  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.26737700  0.73262300  0.42538900  1.0
  Cu  Cu4  1  0.26737700  0.73262300  0.07461100  1.0
  Cu  Cu5  1  0.73262300  0.26737700  0.92538900  1.0
  Cu  Cu6  1  0.53196100  0.46803900  0.15518700  1.0
  Cu  Cu7  1  0.46803900  0.53196100  0.84481300  1.0
  Cu  Cu8  1  0.46803900  0.53196100  0.65518700  1.0
  Cu  Cu9  1  0.53196100  0.46803900  0.34481300  1.0
  O  O10  1  0.35870600  0.64129400  0.97702000  1.0
  O  O11  1  0.64129400  0.35870600  0.02298000  1.0
  O  O12  1  0.64129400  0.35870600  0.47702000  1.0
  O  O13  1  0.35870600  0.64129400  0.52298000  1.0
  O  O14  1  0.84179000  0.15821000  0.84140200  1.0
  O  O15  1  0.15821000  0.84179000  0.15859800  1.0
  O  O16  1  0.15821000  0.84179000  0.34140200  1.0
  O  O17  1  0.84179000  0.15821000  0.65859800  1.0
  O  O18  1  0.08290100  0.91709900  0.89890700  1.0
  O  O19  1  0.91709900  0.08290100  0.10109300  1.0
  O  O20  1  0.91709900  0.08290100  0.39890700  1.0
  O  O21  1  0.08290100  0.91709900  0.60109300  1.0
  O  O22  1  0.54656000  0.45344000  0.75000000  1.0
  O  O23  1  0.45344000  0.54656000  0.25000000  1.0

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