Sr3As2

Traditional Materials TRA

MP-ID: mp-1013559 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Sr3As2

MP-ID

mp-1013559

Elements

Sites

Density

3.4943

g/cm³

Volume

196.12

Å³

Cell a

5.8100

Cell b

5.8100

Cell c

5.8100

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 23)

2θ	d (Å)	I	hkl
15.25	5.8100	24.2	(1,0,0)
21.63	4.1083	12.5	(1,1,0)
26.57	3.3544	77.5	(1,1,1)
30.78	2.9050	100.0	(2,0,0)
34.52	2.5983	13.0	(2,1,0)
37.93	2.3719	5.7	(2,1,1)
44.09	2.0542	73.3	(2,2,0)
46.91	1.9367	6.7	(3,0,0)
49.62	1.8373	2.6	(3,1,0)
52.22	1.7518	35.2	(3,1,1)
54.73	1.6772	25.6	(2,2,2)
57.16	1.6114	3.0	(3,2,0)
59.53	1.5528	3.0	(3,2,1)
64.11	1.4525	11.9	(4,0,0)
66.34	1.4091	3.8	(3,2,2)
68.52	1.3694	1.4	(3,3,0)
70.67	1.3329	14.3	(3,3,1)
72.80	1.2992	32.8	(4,2,0)
74.90	1.2679	2.7	(4,2,1)
81.09	1.1860	24.6	(4,2,2)
83.13	1.1620	1.3	(4,3,0)
85.15	1.1394	1.6	(5,1,0)
87.18	1.1181	11.2	(3,3,3)

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Energy Properties

Formation Energy/atom

-0.91537

eV/atom

Energy/atom

-15.88578

eV/atom

Energy above Hull

0.3706

eV/atom

Uncorrected Energy

-3.5974

eV/atom

Volume/atom

39.22

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0022

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.600

Element Family

N/A

Solute Fraction

0.400

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.387

Family

Binary Alloy

Matrix Element

Sr · 0.600

Related Tasks

Related computation task IDs (5)

aaadbzqt aaadofmb aaadvtxa aaaepggi aaafbazm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1013559

Reference Citation

The crystal structure and related material properties of Sr3As2 were obtained from the Materials Project database (MP-ID: mp-1013559, 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…

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Raw CIF Data

# generated using pymatgen
data_Sr3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81000000
_cell_length_b   5.81000000
_cell_length_c   5.81000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3As2
_chemical_formula_sum   'Sr3 As2'
_cell_volume   196.12294100
_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  0.00000000  0.50000000  0.50000000  1.0
  Sr  Sr1  1  0.50000000  0.00000000  0.50000000  1.0
  Sr  Sr2  1  0.50000000  0.50000000  0.00000000  1.0
  As  As3  1  0.00000000  0.00000000  0.00000000  1.0
  As  As4  1  0.50000000  0.50000000  0.50000000  1.0

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