Sr3CdO4

Elasticity Data ELA

MP-ID: mp-981103 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Sr3CdO4

MP-ID

mp-981103

Elements

Sites

Density

5.6223

g/cm³

Volume

129.74

Å³

Cell a

5.0624

Cell b

5.0624

Cell c

5.0624

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 11)

2θ	d (Å)	I	hkl
17.52	5.0624	2.0	(1,0,0)
24.87	3.5796	1.8	(1,1,0)
30.59	2.9228	96.3	(1,1,1)
35.46	2.5312	100.0	(2,0,0)
39.82	2.2640	1.0	(2,1,0)
51.03	1.7898	66.5	(2,2,0)
60.67	1.5264	43.5	(3,1,1)
63.68	1.4614	21.9	(2,2,2)
75.05	1.2656	10.0	(4,0,0)
83.18	1.1614	18.8	(3,3,1)
85.85	1.1320	28.3	(4,2,0)

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Energy Properties

Formation Energy/atom

-2.62475

eV/atom

Energy/atom

-5.85339

eV/atom

Energy above Hull

0.0185

eV/atom

Uncorrected Energy

-13.6852

eV/atom

Volume/atom

16.22

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.541

Direct Gap

Yes

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

89.762

GPa

G_VRH

54.665

GPa

Young's Modulus E

136.322

GPa

Poisson Ratio ν

0.247

Pugh Ratio K/G

1.642

Vickers Hardness Est.

8.630

GPa

Ductility

Ductile

Anisotropy

0.016

Lame λ

53.319

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0160

Homogeneous Poisson ν

0.2470

Debye Temperature

640.9

Sound Velocity

3,460.5

m/s

Homogeneity

0.2470

Related Tasks

Related computation task IDs (5)

aaadohag aaadvwuu aaaepcmp aaafbbxu aaagbfxl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-981103

Reference Citation

The crystal structure and related material properties of Sr3CdO4 were obtained from the Materials Project database (MP-ID: mp-981103, 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_Sr3CdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06237884
_cell_length_b   5.06237884
_cell_length_c   5.06237884
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3CdO4
_chemical_formula_sum   'Sr3 Cd1 O4'
_cell_volume   129.73702252
_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
  Sr  Sr0  1  0.50000000  0.00000000  0.50000000  1.0
  Sr  Sr1  1  0.50000000  0.50000000  0.00000000  1.0
  Sr  Sr2  1  0.00000000  0.50000000  0.50000000  1.0
  Cd  Cd3  1  0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.50000000  0.50000000  0.50000000  1.0
  O  O5  1  0.50000000  -0.00000000  -0.00000000  1.0
  O  O6  1  -0.00000000  0.50000000  -0.00000000  1.0
  O  O7  1  -0.00000000  0.00000000  0.50000000  1.0

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