Zn2Ag

Traditional Materials TRA

MP-ID: mp-1093999 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Zn2Ag

MP-ID

mp-1093999

Elements

Sites

Density

8.7630

g/cm³

Volume

180.92

Å³

Cell a

5.0947

Cell b

5.0947

Cell c

8.0484

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
30.06	2.9733	4.7	(1,0,-1,2)
35.23	2.5474	19.2	(1,1,-2,0)
35.23	2.5474	38.4	(2,-1,-1,0)
39.30	2.2923	100.0	(1,0,-1,3)
40.91	2.2061	10.8	(2,0,-2,0)
40.91	2.2061	5.4	(2,-2,0,0)
41.98	2.1524	42.0	(1,1,-2,2)
41.98	2.1524	83.9	(2,-1,-1,2)
42.49	2.1276	59.2	(2,0,-2,1)
42.49	2.1276	29.6	(2,-2,0,1)
45.06	2.0121	15.6	(0,0,0,4)
46.97	1.9345	6.4	(2,0,-2,2)
46.97	1.9345	3.2	(2,-2,0,2)
49.81	1.8307	7.8	(1,0,-1,4)
60.05	1.5406	2.1	(3,-1,-2,2)
60.05	1.5406	1.1	(3,-2,-1,2)
61.30	1.5122	5.5	(1,0,-1,5)
63.23	1.4707	6.4	(3,0,-3,0)
63.23	1.4707	3.2	(3,-3,0,0)
65.96	1.4163	11.9	(2,1,-3,3)
65.96	1.4163	23.9	(3,-1,-2,3)
67.85	1.3814	18.8	(3,0,-3,2)
67.85	1.3814	9.4	(3,-3,0,2)
70.16	1.3414	4.1	(0,0,0,6)

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Energy Properties

Formation Energy/atom

-0.02648

eV/atom

Energy/atom

-13.08551

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.0855

eV/atom

Volume/atom

15.08

Å³

c/a Ratio

1.5797

Electronic Properties

Metallic

Metal

Band Gap

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.868

Family

Zn-based Alloy

Matrix Element

Zn · 0.667

Related Tasks

Related computation task IDs (2)

aaadvfct aaaekzzu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1093999

Reference Citation

The crystal structure and related material properties of Zn2Ag were obtained from the Materials Project database (MP-ID: mp-1093999, 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_Zn2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09474263
_cell_length_b   5.09474263
_cell_length_c   8.04838345
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998918
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Ag
_chemical_formula_sum   'Zn8 Ag4'
_cell_volume   180.91885783
_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
  Zn  Zn0  1  0.00000000  -0.00000000  -0.00000000  1.0
  Zn  Zn1  1  0.00000000  -0.00000000  0.50000000  1.0
  Zn  Zn2  1  0.82836470  0.17163530  0.25000000  1.0
  Zn  Zn3  1  0.17163530  0.34327161  0.75000000  1.0
  Zn  Zn4  1  0.65672839  0.82836470  0.75000000  1.0
  Zn  Zn5  1  0.34327161  0.17163530  0.25000000  1.0
  Zn  Zn6  1  0.82836470  0.65672839  0.25000000  1.0
  Zn  Zn7  1  0.17163530  0.82836470  0.75000000  1.0
  Ag  Ag8  1  0.66666700  0.33333400  0.93822206  1.0
  Ag  Ag9  1  0.33333300  0.66666600  0.43822206  1.0
  Ag  Ag10  1  0.33333300  0.66666600  0.06177794  1.0
  Ag  Ag11  1  0.66666700  0.33333400  0.56177794  1.0

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