Sr7Ag3

传统材料 TRA

MP-ID: mp-1106092 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Sr7Ag3

MP-ID

mp-1106092

Elements

Sites

Density

3.8171

g/cm³

Volume

815.19

Å³

Cell a

7.2884

Cell b

11.3645

Cell c

11.3645

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

Bravais Lattice

Stability

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
15.13	5.8572	21.8	(1,0,-1,1)
15.13	5.8572	21.8	(1,1,-2,0)
15.13	5.8572	21.8	(1,-1,0,1)
15.13	5.8572	21.8	(1,1,-2,-1)
15.13	5.8571	21.8	(1,0,-1,-1)
15.13	5.8571	21.8	(1,-1,0,0)
15.59	5.6823	12.1	(0,1,-1,-2)
15.60	5.6822	12.1	(0,2,-2,-1)
15.60	5.6822	12.1	(0,1,-1,1)
18.03	4.9210	12.3	(0,2,-2,-2)
18.03	4.9209	12.3	(0,0,0,2)
18.03	4.9209	12.3	(0,2,-2,0)
21.79	4.0784	9.6	(1,-2,1,2)
21.79	4.0784	9.6	(1,0,-1,2)
21.79	4.0784	9.6	(1,2,-3,-2)
21.79	4.0784	9.6	(1,2,-3,0)
21.79	4.0784	9.6	(1,0,-1,-2)
21.79	4.0784	9.6	(1,-2,1,0)
23.92	3.7199	1.5	(0,2,-2,-3)
23.92	3.7199	1.5	(0,3,-3,-2)
23.92	3.7199	1.5	(0,1,-1,-3)
23.92	3.7199	1.5	(0,3,-3,-1)
23.92	3.7199	1.5	(0,1,-1,2)
23.92	3.7199	1.5	(0,2,-2,1)

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Energy Properties

Formation Energy/atom

-0.15055

eV/atom

Energy/atom

-17.15928

eV/atom

Energy above Hull

0.0135

eV/atom

Uncorrected Energy

-17.1593

eV/atom

Volume/atom

40.76

Å³

c/a Ratio

1.5593

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0076

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.700

Element Family

N/A

Solute Fraction

0.300

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.714

Family

Binary Alloy

Matrix Element

Sr · 0.700

Related Tasks

Related computation task IDs (4)

aaadoczu aaadvqso aaaemqsu aaaeqcnc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1106092

Reference Citation

The crystal structure and related material properties of Sr7Ag3 were obtained from the Materials Project database (MP-ID: mp-1106092, 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_Sr7Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28840292
_cell_length_b   11.36446495
_cell_length_c   11.36450788
_cell_angle_alpha   120.00075905
_cell_angle_beta   89.99951703
_cell_angle_gamma   89.99957548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr7Ag3
_chemical_formula_sum   'Sr14 Ag6'
_cell_volume   815.19087739
_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
  Sr  Sr0  1  0.45086720  0.33332618  0.66666630  1.0
  Sr  Sr1  1  0.95088046  0.66666419  0.33332332  1.0
  Sr  Sr2  1  0.24767590  0.12497923  0.87501491  1.0
  Sr  Sr3  1  0.24768792  0.75003283  0.87500739  1.0
  Sr  Sr4  1  0.24766926  0.12499746  0.24998102  1.0
  Sr  Sr5  1  0.74766577  0.87501227  0.12497785  1.0
  Sr  Sr6  1  0.74766215  0.24998446  0.12499943  1.0
  Sr  Sr7  1  0.74767670  0.87500748  0.75003590  1.0
  Sr  Sr8  1  0.43855790  0.54156606  0.45843726  1.0
  Sr  Sr9  1  0.43857366  0.91681327  0.45842172  1.0
  Sr  Sr10  1  0.43856453  0.54156725  0.08315203  1.0
  Sr  Sr11  1  0.93856004  0.45844968  0.54156048  1.0
  Sr  Sr12  1  0.93856318  0.08313834  0.54156210  1.0
  Sr  Sr13  1  0.93858035  0.45843356  0.91683355  1.0
  Ag  Ag14  1  0.16814608  0.81144130  0.18857685  1.0
  Ag  Ag15  1  0.16813504  0.37715169  0.18859275  1.0
  Ag  Ag16  1  0.16813761  0.81140645  0.62284392  1.0
  Ag  Ag17  1  0.66813792  0.18860086  0.81144120  1.0
  Ag  Ag18  1  0.66812954  0.62281913  0.81140038  1.0
  Ag  Ag19  1  0.66812677  0.18860731  0.37717160  1.0

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