AgP2

Elasticity Data ELA

MP-ID: mp-8200 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

AgP2

MP-ID

mp-8200

Elements

Sites

Density

4.9817

g/cm³

Volume

226.42

Å³

Cell a

5.0745

Cell b

6.2107

Cell c

7.8212

α Angle

113.29

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

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 24)

2θ	d (Å)	I	hkl
15.55	5.6970	16.4	(0,1,-1)
21.44	4.1448	49.0	(1,0,1)
23.43	3.7961	6.2	(0,1,1)
23.46	3.7916	2.2	(1,1,0)
24.79	3.5920	3.2	(0,0,2)
29.38	3.0397	25.5	(1,1,1)
29.42	3.0362	100.0	(1,1,-2)
30.49	2.9319	6.1	(1,0,2)
31.36	2.8524	29.7	(0,2,0)
31.40	2.8485	3.9	(0,2,-2)
33.84	2.6488	22.4	(1,2,-1)
34.41	2.6061	8.0	(0,1,-3)
35.38	2.5373	9.6	(2,0,0)
36.12	2.4865	4.0	(1,2,0)
36.16	2.4839	2.4	(1,2,-2)
37.60	2.3924	5.5	(2,0,1)
38.80	2.3209	32.6	(1,1,2)
38.85	2.3183	4.7	(2,1,0)
38.85	2.3178	7.4	(2,1,-1)
41.71	2.1657	1.5	(1,0,3)
42.37	2.1335	11.5	(1,2,1)
42.87	2.1095	9.5	(2,1,1)
43.68	2.0724	6.6	(2,0,2)
44.19	2.0496	5.6	(0,3,-1)

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Energy Properties

Formation Energy/atom

-0.03825

eV/atom

Energy/atom

-13.15826

eV/atom

Energy above Hull

0.0009

eV/atom

Uncorrected Energy

-13.1583

eV/atom

Volume/atom

18.87

Å³

c/a Ratio

1.5413

Electronic Properties

Metallic

Non-metal

Band Gap

0.659

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

63.049

GPa

G_VRH

25.878

GPa

Young's Modulus E

68.291

GPa

Poisson Ratio ν

0.319

Pugh Ratio K/G

2.436

Vickers Hardness Est.

1.733

GPa

Ductility

Brittle

Anisotropy

2.309

Lame λ

45.797

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

P · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.3090

Homogeneous Poisson ν

0.3190

Debye Temperature

285.3

Sound Velocity

2,552.2

m/s

Homogeneity

0.3190

Related Tasks

Related computation task IDs (6)

aaacmxvh aaadmyoy aaadtagr aaaekxze aaaerkol aaafcpoo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8200

Reference Citation

The crystal structure and related material properties of AgP2 were obtained from the Materials Project database (MP-ID: mp-8200, 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_AgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07451564
_cell_length_b   6.21074093
_cell_length_c   7.82116781
_cell_angle_alpha   113.28607022
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgP2
_chemical_formula_sum   'Ag4 P8'
_cell_volume   226.41691982
_cell_formula_units_Z   4
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  0.04775623  0.75896709  0.90185538  1.0
  Ag  Ag1  1  0.54775623  0.74103291  0.59814462  1.0
  Ag  Ag2  1  0.95224377  0.24103291  0.09814462  1.0
  Ag  Ag3  1  0.45224377  0.25896709  0.40185538  1.0
  P  P4  1  0.40599863  0.67268535  0.08425481  1.0
  P  P5  1  0.90599863  0.82731465  0.41574519  1.0
  P  P6  1  0.59400137  0.32731465  0.91574519  1.0
  P  P7  1  0.09400137  0.17268435  0.58425481  1.0
  P  P8  1  0.77034403  0.42289671  0.69963054  1.0
  P  P9  1  0.27034403  0.07710329  0.80036946  1.0
  P  P10  1  0.22965597  0.57710329  0.30036946  1.0
  P  P11  1  0.72965597  0.92289671  0.19963054  1.0

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