Na4CdP2
Elasticity Data ELAMP-ID: mp-8752 · Space group: R-3m (#166)
Basic Information
Formula
Na4CdP2
MP-ID
mp-8752
Elements
3
Sites
7
Density
2.4136
g/cm³
Volume
183.22
ų
Cell a
8.9795
Å
Cell b
8.9795
Å
Cell c
8.9795
Å
α Angle
32.25
°
β Angle
32.25
°
γ Angle
32.25
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
Stability
Yes
Packing Fraction
-
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 |
|---|---|---|---|
| 10.40 | 8.5052 | 41.8 | (1,1,1) |
| 20.86 | 4.2587 | 100.0 | (1,0,0) |
| 21.72 | 4.0912 | 61.6 | (1,1,0) |
| 24.90 | 3.5765 | 7.2 | (2,1,1) |
| 24.90 | 3.5765 | 3.6 | (1,2,1) |
| 27.05 | 3.2969 | 58.6 | (2,2,1) |
| 31.56 | 2.8351 | 14.3 | (3,3,3) |
| 32.13 | 2.7857 | 4.4 | (3,2,2) |
| 32.13 | 2.7857 | 2.2 | (2,3,2) |
| 34.97 | 2.5658 | 9.9 | (3,3,2) |
| 36.02 | 2.4937 | 92.5 | (1,0,-1) |
| 37.59 | 2.3930 | 6.3 | (2,1,0) |
| 37.59 | 2.3930 | 6.3 | (1,2,0) |
| 41.09 | 2.1969 | 56.8 | (4,3,3) |
| 41.98 | 2.1520 | 9.9 | (1,1,-1) |
| 41.98 | 2.1520 | 5.0 | (1,-1,1) |
| 42.45 | 2.1294 | 6.8 | (2,0,0) |
| 42.45 | 2.1294 | 3.4 | (0,2,0) |
| 42.52 | 2.1263 | 5.3 | (4,4,4) |
| 44.28 | 2.0456 | 1.7 | (2,0,2) |
| 44.33 | 2.0436 | 9.3 | (4,4,3) |
| 45.61 | 1.9889 | 9.4 | (3,1,1) |
| 45.61 | 1.9889 | 4.7 | (1,3,1) |
| 48.63 | 1.8725 | 8.1 | (4,3,2) |
Energy Properties
Formation Energy/atom
-0.32085
eV/atom
Energy/atom
-2.77197
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-7.9309
eV/atom
Volume/atom
26.17
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
0.740
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
23.586
GPa
GVRH
12.600
GPa
Young's Modulus E
32.086
GPa
Poisson Ratio ν
0.273
Pugh Ratio K/G
1.872
Vickers Hardness Est.
1.228
GPa
Ductility
Brittle
Anisotropy
1.396
Lame λ
15.186
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Na · 0.571
Element Family
Alkali-AlkEarth
Solute Fraction
0.429
Interstitial Fraction
0.286
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.3960
Homogeneous Poisson ν
0.2730
Debye Temperature
255.0
K
Sound Velocity
2,543.6
m/s
Homogeneity
0.2730
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-8752
Reference Citation
The crystal structure and related material properties of Na4CdP2 were obtained from the Materials Project database (MP-ID: mp-8752, 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_Na4CdP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97946618
_cell_length_b 8.97946560
_cell_length_c 8.97946604
_cell_angle_alpha 32.24790631
_cell_angle_beta 32.24791230
_cell_angle_gamma 32.24790630
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na4CdP2
_chemical_formula_sum 'Na4 Cd1 P2'
_cell_volume 183.22344682
_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
Na Na0 1 0.79312847 0.79312847 0.79312847 1.0
Na Na1 1 0.59309003 0.59309003 0.59309003 1.0
Na Na2 1 0.20687153 0.20687153 0.20687153 1.0
Na Na3 1 0.40690897 0.40690897 0.40690897 1.0
Cd Cd4 1 0.00000000 -0.00000000 0.00000000 1.0
P P5 1 0.09395307 0.09395307 0.09395307 1.0
P P6 1 0.90604693 0.90604693 0.90604693 1.0
