Sr

Traditional Materials TRA

MP-ID: mp-639774 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

MP-ID

mp-639774

Elements

Sites

Density

2.5712

g/cm³

Volume

113.17

Å³

Cell a

3.8673

Cell b

5.4223

Cell c

5.3970

α Angle

90.00

β Angle

89.97

γ Angle

89.99

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 24)

2θ	d (Å)	I	hkl
23.00	3.8672	100.0	(1,0,0)
23.25	3.8252	97.3	(0,1,-1)
23.25	3.8252	97.3	(0,1,1)
32.93	2.7202	40.0	(1,1,1)
32.93	2.7199	40.0	(1,-1,1)
32.94	2.7192	40.0	(1,1,-1)
32.94	2.7189	40.0	(1,-1,-1)
33.04	2.7112	39.7	(0,2,0)
33.20	2.6985	39.2	(0,0,2)
40.64	2.2201	22.3	(1,2,0)
40.64	2.2198	22.2	(1,-2,0)
40.76	2.2135	22.1	(1,0,2)
40.78	2.2125	22.0	(1,0,-2)
46.99	1.9336	14.5	(2,0,0)
47.54	1.9126	14.0	(0,2,-2)
47.54	1.9126	14.0	(0,2,2)
53.06	1.7260	10.1	(2,1,1)
53.06	1.7259	10.1	(2,-1,1)
53.08	1.7255	10.1	(2,1,-1)
53.08	1.7254	10.1	(2,-1,-1)
53.44	1.7147	9.9	(1,2,2)
53.44	1.7146	9.9	(1,-2,2)
53.45	1.7142	9.9	(1,2,-2)
53.46	1.7141	9.9	(1,-2,-2)

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Energy Properties

Formation Energy/atom

0.39705

eV/atom

Energy/atom

-14.74861

eV/atom

Energy above Hull

0.3971

eV/atom

Uncorrected Energy

-1.2924

eV/atom

Volume/atom

56.59

Å³

c/a Ratio

1.3956

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 · 1.000

Element Family

N/A

Solute Fraction

0.000

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.373

Family

Pure Metal

Matrix Element

Sr · 1.000

Related Tasks

Related computation task IDs (6)

aaadiufg aaadmlik aaadqxkk aaadxxst aaaeuhvw aaafsqyn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-639774

Reference Citation

The crystal structure and related material properties of Sr were obtained from the Materials Project database (MP-ID: mp-639774, 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_Sr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86724546
_cell_length_b   5.42232164
_cell_length_c   5.39700683
_cell_angle_alpha   90.00001632
_cell_angle_beta   89.97041759
_cell_angle_gamma   89.99223494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr
_chemical_formula_sum   Sr2
_cell_volume   113.17224196
_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  0.99999911  -0.00000129  0.00000099  1.0
  Sr  Sr1  1  0.00000089  0.50000129  0.49999901  1.0

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