Sr(ZnP)2
Elasticity Data ELAMP-ID: mp-8276 · Space group: P-3m1 (#164)
Basic Information
Formula
Sr(ZnP)2
MP-ID
mp-8276
Elements
3
Sites
5
Density
4.5480
g/cm³
Volume
102.37
ų
Cell a
4.0813
Å
Cell b
4.0813
Å
Cell c
7.0968
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 12.47 | 7.0968 | 2.1 | (0,0,0,1) |
| 28.21 | 3.1638 | 100.0 | (1,0,-1,1) |
| 35.86 | 2.5042 | 42.9 | (1,0,-1,2) |
| 35.86 | 2.5042 | 21.4 | (0,1,-1,2) |
| 38.04 | 2.3656 | 17.8 | (0,0,0,3) |
| 44.39 | 2.0406 | 18.7 | (2,-1,-1,0) |
| 44.39 | 2.0406 | 37.3 | (1,1,-2,0) |
| 46.18 | 1.9659 | 18.5 | (1,0,-1,3) |
| 53.43 | 1.7149 | 10.9 | (2,0,-2,1) |
| 53.43 | 1.7149 | 5.5 | (0,2,-2,1) |
| 58.18 | 1.5857 | 10.8 | (1,0,-1,4) |
| 58.33 | 1.5819 | 10.0 | (2,0,-2,2) |
| 58.33 | 1.5819 | 5.0 | (0,2,-2,2) |
| 59.86 | 1.5452 | 27.1 | (2,-1,-1,3) |
| 65.80 | 1.4194 | 1.1 | (0,0,0,5) |
| 65.98 | 1.4158 | 6.1 | (2,0,-2,3) |
| 71.65 | 1.3171 | 7.0 | (1,0,-1,5) |
| 71.92 | 1.3129 | 8.8 | (3,-1,-2,1) |
| 71.92 | 1.3129 | 4.4 | (1,2,-3,1) |
| 76.01 | 1.2521 | 4.8 | (2,0,-2,4) |
| 76.14 | 1.2502 | 8.9 | (3,-1,-2,2) |
| 76.14 | 1.2502 | 4.4 | (1,2,-3,2) |
| 81.74 | 1.1782 | 6.0 | (3,0,-3,0) |
| 81.74 | 1.1782 | 3.0 | (0,3,-3,0) |
Energy Properties
Formation Energy/atom
-0.81047
eV/atom
Energy/atom
-11.00468
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-11.0047
eV/atom
Volume/atom
20.47
ų
c/a Ratio
1.7389
Electronic Properties
Metallic
Non-metal
Band Gap
0.829
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
63.496
GPa
GVRH
43.654
GPa
Young's Modulus E
106.545
GPa
Poisson Ratio ν
0.220
Pugh Ratio K/G
1.455
Vickers Hardness Est.
8.751
GPa
Ductility
Ductile
Anisotropy
0.275
Lame λ
34.393
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.400
Element Family
3d-TM
Solute Fraction
0.600
Interstitial Fraction
0.400
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2750
Homogeneous Poisson ν
0.2200
Debye Temperature
422.6
K
Sound Velocity
3,427.9
m/s
Homogeneity
0.2200
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-8276
Reference Citation
The crystal structure and related material properties of Sr(ZnP)2 were obtained from the Materials Project database (MP-ID: mp-8276, 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(ZnP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08128156
_cell_length_b 4.08128113
_cell_length_c 7.09682644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000352
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr(ZnP)2
_chemical_formula_sum 'Sr1 Zn2 P2'
_cell_volume 102.37357470
_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
Zn Zn1 1 0.66666700 0.33333300 0.36974296 1.0
Zn Zn2 1 0.33333300 0.66666700 0.63025704 1.0
P P3 1 0.66666700 0.33333300 0.72429140 1.0
P P4 1 0.33333300 0.66666700 0.27570860 1.0
