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La3Ag

Traditional Materials TRA

MP-ID: mp-978254 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
La3Ag
MP-ID
mp-978254
Elements
2
Sites
8
Density
7.0355
g/cm³
Volume
247.63
ų
Cell a
7.2563
Å
Cell b
7.2563
Å
Cell c
5.4306
Å
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
hP
Stability
No
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 22)
2θd (Å)Ihkl
21.63 4.1089 2.1 (1,0,-1,1)
28.41 3.1421 16.4 (2,0,-2,0)
28.41 3.1421 8.2 (2,-2,0,0)
32.93 2.7196 100.0 (2,0,-2,1)
32.99 2.7153 22.7 (0,0,0,2)
37.88 2.3752 1.7 (3,-1,-2,0)
44.08 2.0545 14.8 (2,0,-2,2)
46.47 1.9544 2.0 (3,0,-3,1)
50.30 1.8141 18.9 (4,-2,-2,0)
51.09 1.7877 1.5 (3,-1,-2,2)
58.77 1.5710 2.8 (4,0,-4,0)
58.88 1.5685 18.5 (2,0,-2,3)
61.44 1.5091 15.1 (4,0,-4,1)
61.47 1.5084 20.5 (4,-2,-2,2)
69.07 1.3598 3.4 (4,0,-4,2)
69.20 1.3577 2.6 (0,0,0,4)
70.88 1.3296 1.1 (5,-1,-4,1)
76.42 1.2463 2.8 (2,0,-2,4)
80.96 1.1876 2.1 (6,-2,-4,0)
81.04 1.1865 6.8 (4,0,-4,3)
83.29 1.1602 7.8 (6,-2,-4,1)
83.29 1.1602 3.9 (6,-4,-2,1)
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Energy Properties

Formation Energy/atom
-0.02752
eV/atom
Energy/atom
-27.67507
eV/atom
Energy above Hull
0.1112
eV/atom
Uncorrected Energy
-4.4260
eV/atom
Volume/atom
30.95
ų
c/a Ratio
0.7484

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0006
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.647
Family
Binary Alloy
Matrix Element
La · 0.750

Related Tasks

Related computation task IDs (5)
aaadbdnz aaadqeaq aaadvdsi aaaeploz aaafayzu

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-978254
Reference Citation

The crystal structure and related material properties of La3Ag were obtained from the Materials Project database (MP-ID: mp-978254, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_La3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25625374
_cell_length_b   7.25625374
_cell_length_c   5.43059000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Ag
_chemical_formula_sum   'La6 Ag2'
_cell_volume   247.62961331
_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
  La  La0  1  0.17685000  0.35370000  0.25000000  1.0
  La  La1  1  0.64630000  0.82315000  0.25000000  1.0
  La  La2  1  0.17685000  0.82315000  0.25000000  1.0
  La  La3  1  0.82315000  0.64630000  0.75000000  1.0
  La  La4  1  0.35370000  0.17685000  0.75000000  1.0
  La  La5  1  0.82315000  0.17685000  0.75000000  1.0
  Ag  Ag6  1  0.33333300  0.66666700  0.75000000  1.0
  Ag  Ag7  1  0.66666700  0.33333300  0.25000000  1.0
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