SrAc3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-979014 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

SrAc3

MP-ID

mp-979014

Elements

Sites

Density

6.8237

g/cm³

Volume

187.04

Å³

Cell a

6.9827

Cell b

6.9827

Cell c

6.9827

α Angle

131.49

β Angle

131.49

γ Angle

71.03

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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
15.59	5.6837	2.7	(1,1,-1)
17.32	5.1214	8.5	(1,0,0)
21.91	4.0564	2.5	(0,0,1)
27.01	3.3018	100.0	(1,1,0)
28.23	3.1617	2.7	(2,1,-1)
31.18	2.8683	34.8	(1,-1,1)
31.48	2.8418	17.0	(2,2,-2)
35.04	2.5607	1.6	(2,0,0)
35.88	2.5026	3.0	(1,0,1)
38.69	2.3275	1.2	(2,2,-1)
42.56	2.1244	1.9	(2,1,0)
44.68	2.0282	13.2	(0,0,2)
44.90	2.0188	26.0	(3,1,-1)
52.99	1.7282	32.2	(2,0,1)
53.37	1.7166	15.8	(3,3,-2)
55.68	1.6509	13.9	(2,2,0)
65.03	1.4342	4.4	(2,-2,2)
65.71	1.4209	2.1	(4,4,-4)
71.76	1.3154	6.6	(1,1,2)
72.08	1.3103	13.1	(4,2,-1)
73.88	1.2828	6.1	(1,-1,3)
74.04	1.2804	6.1	(4,0,0)
74.53	1.2733	6.0	(5,3,-3)
82.51	1.1692	9.3	(3,1,1)

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Energy Properties

Formation Energy/atom

0.07354

eV/atom

Energy/atom

-55.19099

eV/atom

Energy above Hull

0.0735

eV/atom

Uncorrected Energy

-3.4397

eV/atom

Volume/atom

46.76

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0096

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

μB/Å³

Elastic Properties

K_VRH

20.330

GPa

G_VRH

12.317

GPa

Young's Modulus E

30.743

GPa

Poisson Ratio ν

0.248

Pugh Ratio K/G

1.651

Vickers Hardness Est.

1.834

GPa

Ductility

Ductile

Anisotropy

1.216

Lame λ

12.119

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ac · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.592

Family

Binary Alloy

Matrix Element

Ac · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.2160

Homogeneous Poisson ν

0.2480

Homogeneity

0.2480

Related Tasks

Related computation task IDs (5)

aaadchrm aaadoqwd aaadwdem aaaeqjkb aaafbjto

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-979014

Reference Citation

The crystal structure and related material properties of SrAc3 were obtained from the Materials Project database (MP-ID: mp-979014, 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_SrAc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98273262
_cell_length_b   6.98273262
_cell_length_c   6.98273262
_cell_angle_alpha   131.49330307
_cell_angle_beta   131.49330307
_cell_angle_gamma   71.03048658
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAc3
_chemical_formula_sum   'Sr1 Ac3'
_cell_volume   187.04313725
_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
  Ac  Ac1  1  0.50000000  0.50000000  0.00000000  1.0
  Ac  Ac2  1  0.75000000  0.25000000  0.50000000  1.0
  Ac  Ac3  1  0.25000000  0.75000000  0.50000000  1.0

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