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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195085

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1195085
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['K', 'Li', 'C', 'S', 'N']
  • Chemical System: C-K-Li-N-S
  • Density: 1.6486007980077018
  • Atomic Density: 0.045930707116600425
  • Unit Cell Volume: 1045.0524934908237
  • Molar Volume: 13.11136086956401
  • Full Formula: K8 Li4 C12 S12 N12
  • Reduced Formula: K2LiC3(SN)3
  • Formula Anonymous: AB2C3D3E3
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -308.13986167
  • Final energy per atom: -6.419580451458334
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.