Basic Information
Formula
Sr3Cr
MP-ID
mp-980946
Elements
2
Sites
4
Density
3.0820
g/cm³
Volume
169.64
ų
Cell a
5.5357
Å
Cell b
5.5357
Å
Cell c
5.5357
Å
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
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.01 | 5.5357 | 2.9 | (1,0,0) |
| 22.72 | 3.9144 | 2.7 | (1,1,0) |
| 27.92 | 3.1961 | 100.0 | (1,1,1) |
| 32.34 | 2.7679 | 50.9 | (2,0,0) |
| 36.29 | 2.4757 | 1.7 | (2,1,0) |
| 39.89 | 2.2600 | 1.4 | (2,1,1) |
| 46.39 | 1.9572 | 36.1 | (2,2,0) |
| 55.02 | 1.6691 | 42.9 | (3,1,1) |
| 57.69 | 1.5980 | 12.4 | (2,2,2) |
| 67.70 | 1.3839 | 5.7 | (4,0,0) |
| 74.75 | 1.2700 | 17.1 | (3,3,1) |
| 77.04 | 1.2378 | 15.7 | (4,2,0) |
| 86.04 | 1.1300 | 12.0 | (4,2,2) |
Energy Properties
Formation Energy/atom
0.49560
eV/atom
Energy/atom
-14.63198
eV/atom
Energy above Hull
0.4956
eV/atom
Uncorrected Energy
-3.1848
eV/atom
Volume/atom
42.41
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
4.7448
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.027970
μB/ų
Elastic Properties
KVRH
14.914
GPa
GVRH
8.285
GPa
Young's Modulus E
20.972
GPa
Poisson Ratio ν
0.266
Pugh Ratio K/G
1.800
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
3.347
Lame λ
9.391
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.521
Family
Binary Alloy
Matrix Element
Sr · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-980946
Reference Citation
The crystal structure and related material properties of Sr3Cr were obtained from the Materials Project database (MP-ID: mp-980946, 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_Sr3Cr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53572900
_cell_length_b 5.53572900
_cell_length_c 5.53572900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr3Cr
_chemical_formula_sum 'Sr3 Cr1'
_cell_volume 169.63851562
_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
Cr Cr3 1 0.00000000 0.00000000 0.00000000 1.0
