Li7SbN4

Elasticity Data ELA

MP-ID: mp-1029522 · Space group: P-43n (#218)

Materials Project API

Basic Information

Formula

Li7SbN4

MP-ID

mp-1029522

Elements

Sites

Density

3.0660

g/cm³

Volume

980.84

Å³

Cell a

9.9357

Cell b

9.9357

Cell c

9.9357

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P-43n

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Cubic P

Stability

Yes

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
17.85	4.9679	33.6	(2,0,0)
19.98	4.4434	100.0	(2,1,0)
21.91	4.0562	79.2	(2,1,1)
31.18	2.8682	20.6	(2,2,2)
32.49	2.7557	29.0	(3,2,0)
33.75	2.6554	51.0	(3,2,1)
36.16	2.4839	16.7	(4,0,0)
40.61	2.2217	14.7	(4,2,0)
41.66	2.1682	26.6	(4,2,1)
42.68	2.1183	15.7	(3,3,2)
49.40	1.8450	26.3	(5,2,0)
50.30	1.8140	13.5	(5,2,1)
52.07	1.7564	43.4	(4,4,0)
55.49	1.6560	7.8	(6,0,0)
56.32	1.6334	5.1	(6,1,0)
57.15	1.6118	15.9	(5,3,2)
61.95	1.4979	6.4	(6,2,2)
62.73	1.4811	12.7	(6,3,0)
63.50	1.4649	9.6	(6,3,1)
65.04	1.4341	4.9	(4,4,4)
68.04	1.3778	3.9	(6,4,0)
68.79	1.3648	10.6	(6,4,1)
69.52	1.3521	12.8	(7,2,1)
74.60	1.2721	7.6	(6,5,0)

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Energy Properties

Formation Energy/atom

-0.52469

eV/atom

Energy/atom

-4.76174

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-4.6414

eV/atom

Volume/atom

10.22

Å³

c/a Ratio

Electronic Properties

Metallic

Non-metal

Band Gap

2.247

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

75.104

GPa

G_VRH

62.895

GPa

Young's Modulus E

147.509

GPa

Poisson Ratio ν

0.173

Pugh Ratio K/G

1.194

Vickers Hardness Est.

15.326

GPa

Ductility

Ductile

Anisotropy

0.489

Lame λ

33.174

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Li · 0.583

Element Family

Alkali-AlkEarth

Solute Fraction

0.417

Interstitial Fraction

0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4890

Homogeneous Poisson ν

0.1730

Debye Temperature

683.9

Sound Velocity

4,985.9

m/s

Homogeneity

0.1730

Related Tasks

Related computation task IDs (3)

aaacgpad aaaclrid aaadorgd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1029522

Reference Citation

The crystal structure and related material properties of Li7SbN4 were obtained from the Materials Project database (MP-ID: mp-1029522, 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…

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Raw CIF Data

# generated using pymatgen
data_Li7SbN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93571400
_cell_length_b   9.93571400
_cell_length_c   9.93571400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7SbN4
_chemical_formula_sum   'Li56 Sb8 N32'
_cell_volume   980.83791502
_cell_formula_units_Z   8
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
  Li  Li0  1  0.00000000  0.00000000  0.50000000  1.0
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1.0
  Li  Li2  1  0.50000000  0.00000000  0.00000000  1.0
  Li  Li3  1  0.50000000  0.00000000  0.50000000  1.0
  Li  Li4  1  0.50000000  0.50000000  0.00000000  1.0
  Li  Li5  1  0.00000000  0.50000000  0.50000000  1.0
  Li  Li6  1  0.00000000  0.50000000  0.25000000  1.0
  Li  Li7  1  0.50000000  0.75000000  0.00000000  1.0
  Li  Li8  1  0.25000000  0.00000000  0.50000000  1.0
  Li  Li9  1  0.50000000  0.25000000  0.00000000  1.0
  Li  Li10  1  0.75000000  0.00000000  0.50000000  1.0
  Li  Li11  1  0.00000000  0.50000000  0.75000000  1.0
  Li  Li12  1  0.26012300  0.73987700  0.26012300  1.0
  Li  Li13  1  0.73987700  0.26012300  0.26012300  1.0
  Li  Li14  1  0.26012300  0.26012300  0.73987700  1.0
  Li  Li15  1  0.73987700  0.73987700  0.73987700  1.0
  Li  Li16  1  0.76012300  0.76012300  0.23987700  1.0
  Li  Li17  1  0.23987700  0.76012300  0.76012300  1.0
  Li  Li18  1  0.76012300  0.23987700  0.76012300  1.0
  Li  Li19  1  0.23987700  0.23987700  0.23987700  1.0
  Li  Li20  1  0.50000000  0.50000000  0.23056300  1.0
  Li  Li21  1  0.50000000  0.76943700  0.50000000  1.0
  Li  Li22  1  0.23056300  0.50000000  0.50000000  1.0
  Li  Li23  1  0.50000000  0.23056300  0.50000000  1.0
  Li  Li24  1  0.76943700  0.50000000  0.50000000  1.0
  Li  Li25  1  0.50000000  0.50000000  0.76943700  1.0
  Li  Li26  1  0.00000000  0.73056300  0.00000000  1.0
  Li  Li27  1  0.00000000  0.00000000  0.26943700  1.0
  Li  Li28  1  0.73056300  0.00000000  0.00000000  1.0
  Li  Li29  1  0.00000000  0.00000000  0.73056300  1.0
  Li  Li30  1  0.26943700  0.00000000  0.00000000  1.0
  Li  Li31  1  0.00000000  0.26943700  0.00000000  1.0
  Li  Li32  1  0.51083700  0.73118200  0.25057900  1.0
  Li  Li33  1  0.26881800  0.74942100  0.51083700  1.0
  Li  Li34  1  0.25057900  0.48916300  0.26881800  1.0
  Li  Li35  1  0.48916300  0.26881800  0.25057900  1.0
  Li  Li36  1  0.73118200  0.25057900  0.51083700  1.0
  Li  Li37  1  0.74942100  0.51083700  0.26881800  1.0
  Li  Li38  1  0.51083700  0.26881800  0.74942100  1.0
  Li  Li39  1  0.26881800  0.25057900  0.48916300  1.0
  Li  Li40  1  0.25057900  0.51083700  0.73118200  1.0
  Li  Li41  1  0.48916300  0.73118200  0.74942100  1.0
  Li  Li42  1  0.73118200  0.74942100  0.48916300  1.0
  Li  Li43  1  0.74942100  0.48916300  0.73118200  1.0
  Li  Li44  1  0.01083700  0.75057900  0.23118200  1.0
  Li  Li45  1  0.76881800  0.01083700  0.24942100  1.0
  Li  Li46  1  0.75057900  0.76881800  0.98916300  1.0
  Li  Li47  1  0.98916300  0.75057900  0.76881800  1.0
  Li  Li48  1  0.23118200  0.01083700  0.75057900  1.0
  Li  Li49  1  0.24942100  0.76881800  0.01083700  1.0
  Li  Li50  1  0.01083700  0.24942100  0.76881800  1.0
  Li  Li51  1  0.76881800  0.98916300  0.75057900  1.0
  Li  Li52  1  0.75057900  0.23118200  0.01083700  1.0
  Li  Li53  1  0.98916300  0.24942100  0.23118200  1.0
  Li  Li54  1  0.23118200  0.98916300  0.24942100  1.0
  Li  Li55  1  0.24942100  0.23118200  0.98916300  1.0
  Sb  Sb56  1  0.50000000  0.50000000  0.50000000  1.0
  Sb  Sb57  1  0.00000000  0.00000000  0.00000000  1.0
  Sb  Sb58  1  0.50000000  0.00000000  0.25000000  1.0
  Sb  Sb59  1  0.00000000  0.75000000  0.50000000  1.0
  Sb  Sb60  1  0.25000000  0.50000000  0.00000000  1.0
  Sb  Sb61  1  0.00000000  0.25000000  0.50000000  1.0
  Sb  Sb62  1  0.75000000  0.50000000  0.00000000  1.0
  Sb  Sb63  1  0.50000000  0.00000000  0.75000000  1.0
  N  N64  1  0.38188600  0.61811400  0.38188600  1.0
  N  N65  1  0.61811400  0.38188600  0.38188600  1.0
  N  N66  1  0.38188600  0.38188600  0.61811400  1.0
  N  N67  1  0.61811400  0.61811400  0.61811400  1.0
  N  N68  1  0.88188600  0.88188600  0.11811400  1.0
  N  N69  1  0.11811400  0.88188600  0.88188600  1.0
  N  N70  1  0.88188600  0.11811400  0.88188600  1.0
  N  N71  1  0.11811400  0.11811400  0.11811400  1.0
  N  N72  1  0.38275600  0.87838400  0.13334100  1.0
  N  N73  1  0.12161600  0.86665900  0.38275600  1.0
  N  N74  1  0.13334100  0.61724400  0.12161600  1.0
  N  N75  1  0.61724400  0.12161600  0.13334100  1.0
  N  N76  1  0.87838400  0.13334100  0.38275600  1.0
  N  N77  1  0.86665900  0.38275600  0.12161600  1.0
  N  N78  1  0.38275600  0.12161600  0.86665900  1.0
  N  N79  1  0.12161600  0.13334100  0.61724400  1.0
  N  N80  1  0.13334100  0.38275600  0.87838400  1.0
  N  N81  1  0.61724400  0.87838400  0.86665900  1.0
  N  N82  1  0.87838400  0.86665900  0.61724400  1.0
  N  N83  1  0.86665900  0.61724400  0.87838400  1.0
  N  N84  1  0.88275600  0.63334100  0.37838400  1.0
  N  N85  1  0.62161600  0.88275600  0.36665900  1.0
  N  N86  1  0.63334100  0.62161600  0.11724400  1.0
  N  N87  1  0.11724400  0.63334100  0.62161600  1.0
  N  N88  1  0.37838400  0.88275600  0.63334100  1.0
  N  N89  1  0.36665900  0.62161600  0.88275600  1.0
  N  N90  1  0.88275600  0.36665900  0.62161600  1.0
  N  N91  1  0.62161600  0.11724400  0.63334100  1.0
  N  N92  1  0.63334100  0.37838400  0.88275600  1.0
  N  N93  1  0.11724400  0.36665900  0.37838400  1.0
  N  N94  1  0.37838400  0.11724400  0.36665900  1.0
  N  N95  1  0.36665900  0.37838400  0.11724400  1.0

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