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SrLi4N2

Elasticity Data ELA

MP-ID: mp-15845 · Space group: I4_1/amd (#141)

Basic Information

Formula
SrLi4N2
MP-ID
mp-15845
Elements
3
Sites
14
Density
2.4474
g/cm³
Volume
194.59
ų
Cell a
3.8085
Å
Cell b
3.8085
Å
Cell c
13.6846
Å
α Angle
98.03
°
β Angle
98.03
°
γ Angle
89.96
°
Space Group
I4_1/amd
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
13.20 6.7076 100.0 (0,0,2)
23.59 3.7710 53.0 (1,0,-1)
23.60 3.7705 51.5 (1,0,0)
25.42 3.5046 12.1 (1,0,-2)
25.42 3.5035 12.8 (1,0,1)
26.58 3.3538 12.2 (0,0,4)
28.74 3.1064 19.0 (0,1,-3)
28.74 3.1064 19.0 (1,0,-3)
28.75 3.1052 37.7 (1,0,2)
33.15 2.7022 19.0 (1,0,-4)
33.17 2.7010 19.3 (1,0,3)
33.94 2.6416 13.0 (1,1,-2)
33.95 2.6409 13.0 (1,1,0)
33.96 2.6395 25.9 (1,-1,1)
38.34 2.3480 5.6 (0,1,-5)
38.34 2.3480 5.6 (1,0,-5)
38.35 2.3470 10.8 (1,0,4)
39.02 2.3082 12.3 (1,1,-4)
39.04 2.3069 12.2 (1,1,2)
39.05 2.3064 24.5 (1,-1,3)
40.34 2.2359 14.3 (0,0,6)
44.08 2.0544 6.6 (0,1,-6)
44.08 2.0544 6.6 (1,0,-6)
44.10 2.0536 6.7 (1,0,5)
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Energy Properties

Formation Energy/atom
-0.55682
eV/atom
Energy/atom
-6.69254
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-6.6925
eV/atom
Volume/atom
13.90
ų
c/a Ratio
3.5931

Electronic Properties

Metallic
Non-metal
Band Gap
0.887
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
52.666
GPa
GVRH
28.749
GPa
Young's Modulus E
72.970
GPa
Poisson Ratio ν
0.269
Pugh Ratio K/G
1.832
Vickers Hardness Est.
4.026
GPa
Ductility
Brittle
Anisotropy
1.337
Lame λ
33.500
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Li · 0.571
Element Family
Alkali-AlkEarth
Solute Fraction
0.429
Interstitial Fraction
0.286

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.3370
Homogeneous Poisson ν
0.2690
Debye Temperature
646.7
K
Sound Velocity
3,813.6
m/s
Homogeneity
0.2690

Related Tasks

Related computation task IDs (4)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-15845
Reference Citation

The crystal structure and related material properties of SrLi4N2 were obtained from the Materials Project database (MP-ID: mp-15845, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_SrLi4N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.80853906
_cell_length_b   3.80853912
_cell_length_c   13.68461315
_cell_angle_alpha   98.02895348
_cell_angle_beta   98.02894204
_cell_angle_gamma   89.96080632
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi4N2
_chemical_formula_sum   'Sr2 Li8 N4'
_cell_volume   194.58666119
_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  0.62603103  0.87396870  0.75000013  1.0
  Sr  Sr1  1  0.37396579  0.12603411  0.24999996  1.0
  Li  Li2  1  0.73027210  0.97520259  0.95805939  1.0
  Li  Li3  1  0.47520365  0.23027269  0.45805636  1.0
  Li  Li4  1  0.05522287  0.30251302  0.60631902  1.0
  Li  Li5  1  0.80251342  0.55522000  0.10631521  1.0
  Li  Li6  1  0.94477981  0.69748642  0.39368504  1.0
  Li  Li7  1  0.26972752  0.02479659  0.04194358  1.0
  Li  Li8  1  0.52479751  0.76972774  0.54194060  1.0
  Li  Li9  1  0.19748727  0.44477704  0.89368070  1.0
  N  N10  1  0.19351873  0.94127741  0.88668462  1.0
  N  N11  1  0.44128222  0.69352470  0.38668489  1.0
  N  N12  1  0.80647513  0.05871782  0.11331501  1.0
  N  N13  1  0.55872296  0.30648115  0.61331547  1.0
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