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  1. Third-Parties
  2. MatprojStructure
  3. mp-557635

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-557635
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['Sb', 'Te', 'Se', 'F']
  • Chemical System: F-Sb-Se-Te
  • Density: 3.734786587094949
  • Atomic Density: 0.04919503860099057
  • Unit Cell Volume: 2276.652345135975
  • Molar Volume: 12.241357932136555
  • Full Formula: Sb16 Te8 Se8 F80
  • Reduced Formula: Sb2TeSeF10
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -536.67565495
  • Final energy per atom: -4.791746919196428
  • 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.