Ag3P

Traditional Materials TRA

MP-ID: mp-985295 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Ag3P

MP-ID

mp-985295

Elements

Sites

Density

8.4216

g/cm³

Volume

69.91

Å³

Cell a

5.0933

Cell b

5.0933

Cell c

5.0933

α Angle

132.76

β Angle

132.76

γ Angle

69.03

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 18)

2θ	d (Å)	I	hkl
21.17	4.1967	5.3	(1,1,-1)
24.25	3.6706	15.5	(1,0,-1)
30.99	2.8861	4.2	(1,-1,0)
37.83	2.3781	100.0	(2,0,-1)
39.03	2.3077	4.6	(2,1,-2)
43.11	2.0984	17.0	(2,2,-2)
44.39	2.0408	31.2	(1,-1,1)
49.68	1.8353	2.2	(2,0,-2)
51.22	1.7837	4.1	(2,-1,-1)
54.03	1.6972	1.7	(3,1,-2)
59.55	1.5525	1.3	(3,2,-3)
60.57	1.5288	2.4	(3,0,-2)
63.60	1.4630	20.1	(3,1,-3)
64.58	1.4431	9.6	(2,-2,0)
75.53	1.2588	12.1	(3,3,-4)
77.21	1.2356	1.1	(4,1,-3)
77.35	1.2337	22.7	(3,-1,-2)
80.84	1.1890	10.1	(4,0,-2)

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Energy Properties

Formation Energy/atom

0.20542

eV/atom

Energy/atom

-18.06200

eV/atom

Energy above Hull

0.2201

eV/atom

Uncorrected Energy

-3.2657

eV/atom

Volume/atom

17.48

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

90.676

GPa

G_VRH

80.813

GPa

Young's Modulus E

186.912

GPa

Poisson Ratio ν

0.156

Pugh Ratio K/G

1.122

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-4.514

Lame λ

36.801

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.250

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.740

Family

Binary Alloy

Matrix Element

Ag · 0.750

Related Tasks

Related computation task IDs (5)

aaadnyon aaadwlly aaadykyt aaaescxr aaafsmqw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-985295

Reference Citation

The crystal structure and related material properties of Ag3P were obtained from the Materials Project database (MP-ID: mp-985295, 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_Ag3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09333028
_cell_length_b   5.09333028
_cell_length_c   5.09333028
_cell_angle_alpha   132.75867243
_cell_angle_beta   132.75867243
_cell_angle_gamma   69.03339351
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3P
_chemical_formula_sum   'Ag3 P1'
_cell_volume   69.91437008
_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
  Ag  Ag0  1  0.75000000  0.25000000  0.50000000  1.0
  Ag  Ag1  1  0.25000000  0.75000000  0.50000000  1.0
  Ag  Ag2  1  0.50000000  0.50000000  0.00000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0

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