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  1. Third-Parties
  2. MatprojStructure
  3. mp-733782

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-733782
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 6
  • Element list: ['K', 'C', 'Se', 'S', 'N', 'O']
  • Chemical System: C-K-N-O-S-Se
  • Density: 1.9847042066316647
  • Atomic Density: 0.045770080967445746
  • Unit Cell Volume: 1005.0233477349053
  • Molar Volume: 13.157374059013103
  • Full Formula: K4 C12 Se4 S12 N12 O2
  • Reduced Formula: K2C6Se2S6N6O
  • Formula Anonymous: AB2C2D6E6F6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -290.84660025
  • Final energy per atom: -6.322752179347826
  • 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.