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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194943

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-1194943
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Te', 'C', 'S', 'O', 'F']
  • Chemical System: C-F-O-S-Te
  • Density: 3.3675397861337966
  • Atomic Density: 0.05658606945558263
  • Unit Cell Volume: 671.5433739363748
  • Molar Volume: 10.642444011289905
  • Full Formula: Te6 C4 S4 O12 F12
  • Reduced Formula: Te3C2S2(OF)6
  • Formula Anonymous: A2B2C3D6E6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -211.84626891
  • Final energy per atom: -5.574901813421053
  • 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.