Sr4Cu2O7

Elasticity Data ELA

MP-ID: mp-766217 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

Sr4Cu2O7

MP-ID

mp-766217

Elements

Sites

Density

5.4259

g/cm³

Volume

360.86

Å³

Cell a

5.4495

Cell b

6.7267

Cell c

10.7496

α Angle

66.32

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

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
14.38	6.1602	16.3	(0,1,0)
18.61	4.7677	1.9	(1,0,1)
24.34	3.6562	2.1	(1,1,2)
24.37	3.6527	1.7	(1,0,2)
28.99	3.0801	13.0	(0,2,0)
31.94	2.8020	99.6	(1,2,2)
31.99	2.7973	100.0	(1,1,-2)
32.87	2.7248	74.7	(2,0,0)
33.34	2.6874	74.5	(0,1,4)
34.14	2.6260	3.7	(2,0,1)
35.04	2.5610	1.7	(1,2,3)
37.31	2.4103	5.4	(1,1,4)
39.55	2.2784	1.6	(1,1,-3)
41.80	2.1608	2.0	(2,1,3)
42.79	2.1132	1.5	(2,2,1)
43.66	2.0733	12.7	(1,3,2)
43.73	2.0701	12.1	(1,2,-2)
44.10	2.0534	29.4	(0,3,0)
44.39	2.0408	17.2	(2,2,0)
44.70	2.0273	8.6	(0,3,4)
44.81	2.0226	8.3	(0,1,-4)
47.52	1.9134	68.0	(2,1,4)
49.88	1.8281	1.1	(2,2,4)
54.50	1.6836	1.1	(2,1,5)

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Energy Properties

Formation Energy/atom

-2.34112

eV/atom

Energy/atom

-6.15680

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.7473

eV/atom

Volume/atom

13.88

Å³

c/a Ratio

1.9726

Electronic Properties

Metallic

Non-metal

Band Gap

0.832

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

94.546

GPa

G_VRH

53.210

GPa

Young's Modulus E

134.414

GPa

Poisson Ratio ν

0.263

Pugh Ratio K/G

1.777

Vickers Hardness Est.

7.439

GPa

Ductility

Brittle

Anisotropy

0.250

Lame λ

59.073

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.538

Element Family

Metalloid-Nonmetal

Solute Fraction

0.462

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2500

Homogeneous Poisson ν

0.2630

Debye Temperature

719.2

Sound Velocity

3,482.0

m/s

Homogeneity

0.2630

Related Tasks

Related computation task IDs (3)

aaabsxtr aaaclqhn aaafzzht

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-766217

Reference Citation

The crystal structure and related material properties of Sr4Cu2O7 were obtained from the Materials Project database (MP-ID: mp-766217, 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_Sr4Cu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44949814
_cell_length_b   6.72667554
_cell_length_c   10.74960988
_cell_angle_alpha   66.31693909
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4Cu2O7
_chemical_formula_sum   'Sr8 Cu4 O14'
_cell_volume   360.86229269
_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
  Sr  Sr0  1  0.76591961  0.28751833  0.56008365  1.0
  Sr  Sr1  1  0.72454899  0.71237184  0.20480038  1.0
  Sr  Sr2  1  0.73408039  0.28751833  0.06008365  1.0
  Sr  Sr3  1  0.22454899  0.28762816  0.29519962  1.0
  Sr  Sr4  1  0.23408039  0.71248167  0.43991635  1.0
  Sr  Sr5  1  0.77545101  0.71237184  0.70480038  1.0
  Sr  Sr6  1  0.27545101  0.28762816  0.79519962  1.0
  Sr  Sr7  1  0.26591961  0.71248167  0.93991635  1.0
  Cu  Cu8  1  0.74340025  0.99929092  0.38272831  1.0
  Cu  Cu9  1  0.25659975  0.00070908  0.61727169  1.0
  Cu  Cu10  1  0.75659975  0.99929092  0.88272831  1.0
  Cu  Cu11  1  0.24340025  0.00070908  0.11727169  1.0
  O  O12  1  0.72638445  0.30799211  0.31056269  1.0
  O  O13  1  0.73493114  0.69053275  0.46439850  1.0
  O  O14  1  0.49253107  0.99921387  0.27408479  1.0
  O  O15  1  -0.00000000  0.00000000  0.50000000  1.0
  O  O16  1  0.50000000  0.00000000  0.00000000  1.0
  O  O17  1  0.99253107  0.00078613  0.22591521  1.0
  O  O18  1  0.26506886  0.30946725  0.53560150  1.0
  O  O19  1  0.50746893  0.00078613  0.72591521  1.0
  O  O20  1  0.22638445  0.69200789  0.18943731  1.0
  O  O21  1  0.76506886  0.69053275  0.96439850  1.0
  O  O22  1  0.77361555  0.30799211  0.81056269  1.0
  O  O23  1  0.23493114  0.30946725  0.03560150  1.0
  O  O24  1  0.27361555  0.69200789  0.68943731  1.0
  O  O25  1  0.00746893  0.99921387  0.77408479  1.0

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