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  1. Third-Parties
  2. MatprojStructure
  3. mp-558675

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-558675
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 6
  • Element list: ['Sb', 'Te', 'Mo', 'C', 'O', 'F']
  • Chemical System: C-F-Mo-O-Sb-Te
  • Density: 3.5427778574233066
  • Atomic Density: 0.05221901324703566
  • Unit Cell Volume: 1991.611743178694
  • Molar Volume: 11.53246755451064
  • Full Formula: Sb8 Te12 Mo4 C16 O16 F48
  • Reduced Formula: Sb2Te3MoC4(OF3)4
  • Formula Anonymous: AB2C3D4E4F12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -621.4327109799999
  • Final energy per atom: -5.975314528653845
  • 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.