K2AgP
Elasticity Data ELAMP-ID: mp-9778 · Space group: Cmcm (#63)
Basic Information
Formula
K2AgP
MP-ID
mp-9778
Elements
3
Sites
8
Density
3.2035
g/cm³
Volume
225.00
ų
Cell a
5.9332
Å
Cell b
6.2488
Å
Cell c
6.2488
Å
α Angle
103.79
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 14.60 | 6.0688 | 100.0 | (0,1,0) |
| 18.04 | 4.9170 | 42.1 | (0,1,-1) |
| 23.06 | 3.8563 | 9.8 | (0,1,1) |
| 27.59 | 3.2334 | 19.9 | (1,1,1) |
| 29.44 | 3.0344 | 10.3 | (0,0,2) |
| 29.44 | 3.0344 | 10.3 | (0,2,0) |
| 29.61 | 3.0168 | 68.4 | (0,2,-1) |
| 33.16 | 2.7016 | 3.6 | (1,0,2) |
| 33.16 | 2.7016 | 3.6 | (1,2,0) |
| 33.32 | 2.6892 | 32.1 | (1,2,-1) |
| 33.63 | 2.6652 | 68.1 | (2,1,0) |
| 35.34 | 2.5401 | 24.7 | (2,1,-1) |
| 36.11 | 2.4873 | 32.0 | (0,2,1) |
| 36.55 | 2.4585 | 8.5 | (0,2,-2) |
| 38.28 | 2.3513 | 31.1 | (2,1,1) |
| 39.28 | 2.2939 | 5.5 | (1,2,1) |
| 42.62 | 2.1213 | 32.9 | (2,2,0) |
| 42.75 | 2.1152 | 7.1 | (2,2,-1) |
| 43.66 | 2.0731 | 3.3 | (0,1,-3) |
| 43.66 | 2.0731 | 3.3 | (0,3,-1) |
| 44.80 | 2.0229 | 1.6 | (0,3,0) |
| 46.40 | 1.9570 | 1.5 | (1,3,-1) |
| 47.13 | 1.9281 | 1.6 | (0,2,2) |
| 47.72 | 1.9060 | 8.0 | (2,2,1) |
Energy Properties
Formation Energy/atom
-0.43899
eV/atom
Energy/atom
-11.03761
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-11.0376
eV/atom
Volume/atom
28.13
ų
c/a Ratio
1.0532
Electronic Properties
Metallic
Non-metal
Band Gap
1.232
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
22.143
GPa
GVRH
11.106
GPa
Young's Modulus E
28.546
GPa
Poisson Ratio ν
0.285
Pugh Ratio K/G
1.994
Vickers Hardness Est.
0.648
GPa
Ductility
Brittle
Anisotropy
1.517
Lame λ
14.739
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 0.500
Element Family
Alkali-AlkEarth
Solute Fraction
0.500
Interstitial Fraction
0.250
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.5170
Homogeneous Poisson ν
0.2850
Debye Temperature
235.8
K
Sound Velocity
2,075.9
m/s
Homogeneity
0.2850
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9778
Reference Citation
The crystal structure and related material properties of K2AgP were obtained from the Materials Project database (MP-ID: mp-9778, 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_K2AgP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93323237
_cell_length_b 6.24883175
_cell_length_c 6.24883241
_cell_angle_alpha 103.78771752
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2AgP
_chemical_formula_sum 'K4 Ag2 P2'
_cell_volume 225.00450196
_cell_formula_units_Z 2
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
K K0 1 0.75000000 0.31050117 0.96950006 1.0
K K1 1 0.75000000 0.96950006 0.31050117 1.0
K K2 1 0.25000000 0.68949883 0.03049994 1.0
K K3 1 0.25000000 0.03049994 0.68949883 1.0
Ag Ag4 1 0.50000000 0.50000000 0.50000000 1.0
Ag Ag5 1 0.00000000 0.50000000 0.50000000 1.0
P P6 1 0.75000000 0.75177932 0.75177932 1.0
P P7 1 0.25000000 0.24822068 0.24822068 1.0
