Sr(SnAs)2

弹性数据 ELA

MP-ID: mp-9379 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Sr(SnAs)2

MP-ID

mp-9379

Elements

Sites

Density

5.6271

g/cm³

Volume

140.14

Å³

Cell a

9.3089

Cell b

9.3089

Cell c

9.3089

α Angle

26.36

β Angle

26.36

γ Angle

26.36

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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
9.85	8.9805	4.4	(1,1,1)
19.77	4.4903	1.7	(2,2,2)
25.11	3.5465	2.4	(1,1,0)
27.64	3.2268	5.9	(2,1,1)
29.41	3.0367	100.0	(2,2,1)
29.85	2.9935	5.1	(3,3,3)
33.72	2.6584	1.0	(3,2,2)
41.56	2.1731	21.9	(4,3,3)
41.56	2.1731	11.0	(3,3,4)
42.60	2.1224	13.0	(1,-1,0)
42.60	2.1224	25.9	(1,0,-1)
44.45	2.0383	2.9	(4,4,3)
50.84	1.7961	4.4	(5,5,5)
52.61	1.7396	13.2	(3,1,1)
52.61	1.7396	6.6	(1,1,3)
52.88	1.7314	2.1	(4,2,3)
52.88	1.7314	4.2	(4,3,2)
53.77	1.7049	5.7	(5,5,4)
60.47	1.5309	2.5	(6,5,5)
61.03	1.5184	7.1	(4,2,4)
61.03	1.5184	3.5	(4,4,2)
68.43	1.3711	3.7	(6,4,5)
68.43	1.3711	7.3	(6,5,4)
69.92	1.3454	5.7	(3,0,2)

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Energy Properties

Formation Energy/atom

-0.62432

eV/atom

Energy/atom

-19.43494

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.4349

eV/atom

Volume/atom

28.03

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.005

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

K_VRH

40.513

GPa

G_VRH

28.465

GPa

Young's Modulus E

69.190

GPa

Poisson Ratio ν

0.215

Pugh Ratio K/G

1.423

Vickers Hardness Est.

6.386

GPa

Ductility

Ductile

Anisotropy

1.287

Lame λ

21.536

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.400

Element Family

PostTransition-Noble

Solute Fraction

0.600

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.2870

Homogeneous Poisson ν

0.2150

Debye Temperature

307.1

Sound Velocity

2,487.2

m/s

Homogeneity

0.2150

Related Tasks

Related computation task IDs (5)

aaadmtso aaaemtlw aaaeutff aaafawgp aaafjgoy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9379

Reference Citation

The crystal structure and related material properties of Sr(SnAs)2 were obtained from the Materials Project database (MP-ID: mp-9379, 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(SnAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.30893501
_cell_length_b   9.30893501
_cell_length_c   9.30893479
_cell_angle_alpha   26.35845453
_cell_angle_beta   26.35845453
_cell_angle_gamma   26.35845932
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(SnAs)2
_chemical_formula_sum   'Sr1 Sn2 As2'
_cell_volume   140.13758792
_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  -0.00000000  0.00000000  1.0
  Sn  Sn1  1  0.20917527  0.20917527  0.20917527  1.0
  Sn  Sn2  1  0.79082473  0.79082473  0.79082473  1.0
  As  As3  1  0.59287365  0.59287365  0.59287365  1.0
  As  As4  1  0.40712635  0.40712635  0.40712635  1.0

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