Sr(CdAs)2
Elasticity Data ELAMP-ID: mp-7771 · Space group: P-3m1 (#164)
Basic Information
Formula
Sr(CdAs)2
MP-ID
mp-7771
Elements
3
Sites
5
Density
5.9152
g/cm³
Volume
129.77
ų
Cell a
4.4830
Å
Cell b
4.4830
Å
Cell c
7.4563
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 |
|---|---|---|---|
| 11.87 | 7.4563 | 12.5 | (0,0,0,1) |
| 22.91 | 3.8824 | 6.8 | (1,0,-1,0) |
| 22.91 | 3.8824 | 13.7 | (1,-1,0,0) |
| 23.87 | 3.7282 | 4.3 | (0,0,0,2) |
| 25.87 | 3.4435 | 25.8 | (1,0,-1,1) |
| 25.87 | 3.4435 | 51.5 | (1,-1,0,1) |
| 33.32 | 2.6891 | 100.0 | (1,0,-1,2) |
| 36.14 | 2.4854 | 14.3 | (0,0,0,3) |
| 40.23 | 2.2415 | 63.3 | (2,-1,-1,0) |
| 40.23 | 2.2415 | 31.6 | (1,-2,1,0) |
| 42.09 | 2.1466 | 2.3 | (2,-1,-1,1) |
| 42.09 | 2.1466 | 1.1 | (1,-2,1,1) |
| 43.22 | 2.0932 | 45.0 | (1,0,-1,3) |
| 46.80 | 1.9412 | 1.9 | (2,-2,0,0) |
| 47.32 | 1.9210 | 2.6 | (2,-1,-1,2) |
| 47.32 | 1.9210 | 1.3 | (1,-2,1,2) |
| 48.46 | 1.8786 | 4.5 | (2,0,-2,1) |
| 48.46 | 1.8786 | 9.1 | (2,-2,0,1) |
| 53.20 | 1.7218 | 8.5 | (2,0,-2,2) |
| 53.20 | 1.7218 | 17.0 | (2,-2,0,2) |
| 54.62 | 1.6804 | 5.5 | (1,0,-1,4) |
| 55.18 | 1.6646 | 16.2 | (2,-1,-1,3) |
| 55.18 | 1.6646 | 8.1 | (1,-2,1,3) |
| 60.52 | 1.5299 | 5.4 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
-0.60497
eV/atom
Energy/atom
-3.19551
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.7255
eV/atom
Volume/atom
25.95
ų
c/a Ratio
1.6633
Electronic Properties
Metallic
Non-metal
Band Gap
0.135
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
46.795
GPa
GVRH
28.778
GPa
Young's Modulus E
71.647
GPa
Poisson Ratio ν
0.245
Pugh Ratio K/G
1.626
Vickers Hardness Est.
5.083
GPa
Ductility
Ductile
Anisotropy
0.143
Lame λ
27.610
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
0.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1430
Homogeneous Poisson ν
0.2450
Debye Temperature
312.8
K
Sound Velocity
2,447.3
m/s
Homogeneity
0.2450
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-7771
Reference Citation
The crystal structure and related material properties of Sr(CdAs)2 were obtained from the Materials Project database (MP-ID: mp-7771, 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(CdAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48296996
_cell_length_b 4.48296889
_cell_length_c 7.45633266
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999273
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr(CdAs)2
_chemical_formula_sum 'Sr1 Cd2 As2'
_cell_volume 129.77394070
_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 0.63181685 1.0
Cd Cd2 1 0.66666700 0.33333300 0.36818315 1.0
As As3 1 0.66666700 0.33333300 0.74913533 1.0
As As4 1 0.33333300 0.66666700 0.25086467 1.0
