Sr(CdP)2
Elasticity Data ELAMP-ID: mp-8277 · Space group: P-3m1 (#164)
Basic Information
Formula
Sr(CdP)2
MP-ID
mp-8277
Elements
3
Sites
5
Density
5.1660
g/cm³
Volume
120.34
ų
Cell a
4.3595
Å
Cell b
4.3595
Å
Cell c
7.3115
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 |
|---|---|---|---|
| 12.10 | 7.3115 | 12.0 | (0,0,0,1) |
| 23.56 | 3.7755 | 2.2 | (1,0,-1,0) |
| 23.56 | 3.7755 | 4.4 | (1,-1,0,0) |
| 26.57 | 3.3546 | 100.0 | (1,0,-1,1) |
| 34.14 | 2.6263 | 79.7 | (1,0,-1,2) |
| 36.88 | 2.4372 | 15.5 | (0,0,0,3) |
| 41.42 | 2.1798 | 39.6 | (2,-1,-1,0) |
| 41.42 | 2.1798 | 19.8 | (1,-2,1,0) |
| 43.31 | 2.0889 | 3.1 | (2,-1,-1,1) |
| 44.23 | 2.0476 | 18.4 | (1,0,-1,3) |
| 49.89 | 1.8278 | 17.5 | (2,0,-2,1) |
| 54.72 | 1.6773 | 6.6 | (2,0,-2,2) |
| 54.72 | 1.6773 | 13.1 | (2,-2,0,2) |
| 55.89 | 1.6452 | 10.4 | (1,0,-1,4) |
| 56.65 | 1.6247 | 25.6 | (2,-1,-1,3) |
| 62.20 | 1.4924 | 2.1 | (2,0,-2,3) |
| 62.20 | 1.4924 | 4.2 | (2,-2,0,3) |
| 63.63 | 1.4623 | 1.3 | (0,0,0,5) |
| 66.79 | 1.4006 | 4.7 | (3,-1,-2,1) |
| 66.79 | 1.4006 | 9.5 | (3,-2,-1,1) |
| 68.85 | 1.3636 | 9.3 | (1,0,-1,5) |
| 70.89 | 1.3293 | 11.8 | (3,-1,-2,2) |
| 70.89 | 1.3293 | 5.9 | (2,-3,1,2) |
| 71.90 | 1.3132 | 1.6 | (2,0,-2,4) |
Energy Properties
Formation Energy/atom
-0.57211
eV/atom
Energy/atom
-3.46079
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.3909
eV/atom
Volume/atom
24.07
ų
c/a Ratio
1.6771
Electronic Properties
Metallic
Non-metal
Band Gap
0.711
eV
Direct Gap
Yes
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
53.940
GPa
GVRH
34.745
GPa
Young's Modulus E
85.810
GPa
Poisson Ratio ν
0.235
Pugh Ratio K/G
1.552
Vickers Hardness Est.
6.527
GPa
Ductility
Ductile
Anisotropy
0.081
Lame λ
30.777
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cd · 0.400
Element Family
4d-TM
Solute Fraction
0.600
Interstitial Fraction
0.400
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0810
Homogeneous Poisson ν
0.2350
Debye Temperature
323.8
K
Sound Velocity
2,874.1
m/s
Homogeneity
0.2350
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-8277
Reference Citation
The crystal structure and related material properties of Sr(CdP)2 were obtained from the Materials Project database (MP-ID: mp-8277, 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(CdP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35952244
_cell_length_b 4.35952200
_cell_length_c 7.31153407
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999545
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr(CdP)2
_chemical_formula_sum 'Sr1 Cd2 P2'
_cell_volume 120.34192409
_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
Cd Cd1 1 0.33333300 0.66666700 0.63487128 1.0
Cd Cd2 1 0.66666700 0.33333300 0.36512872 1.0
P P3 1 0.66666700 0.33333300 0.74567479 1.0
P P4 1 0.33333300 0.66666700 0.25432521 1.0
