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  1. Third-Parties
  2. MatprojStructure
  3. mp-555028

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-555028
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 6
  • Element list: ['Ag', 'Sb', 'Te', 'S', 'O', 'F']
  • Chemical System: Ag-F-O-S-Sb-Te
  • Density: 2.881950874147656
  • Atomic Density: 0.04789452826514379
  • Unit Cell Volume: 1252.7527083645214
  • Molar Volume: 12.573755245403964
  • Full Formula: Ag1 Sb1 Te6 S16 O6 F30
  • Reduced Formula: AgSbTe6S16(OF5)6
  • Formula Anonymous: ABC6D6E16F30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -284.52939969
  • Final energy per atom: -4.7421566615
  • 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.