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  1. Third-Parties
  2. MatprojStructure
  3. mp-731948

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-731948
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['K', 'Re', 'C', 'S', 'N', 'O']
  • Chemical System: C-K-N-O-Re-S
  • Density: 3.1474983400324255
  • Atomic Density: 0.05393709968585322
  • Unit Cell Volume: 1483.2091541062716
  • Molar Volume: 11.165117878185624
  • Full Formula: K8 Re8 C24 S8 N24 O8
  • Reduced Formula: KReC3SN3O
  • Formula Anonymous: ABCDE3F3
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -604.11126686
  • Final energy per atom: -7.55139083575
  • 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.