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  1. Third-Parties
  2. MatprojStructure
  3. mp-680235

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-680235
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 176
  • Number of elements: 5
  • Element list: ['Cs', 'Sb', 'Te', 'O', 'F']
  • Chemical System: Cs-F-O-Sb-Te
  • Density: 3.5036166701961844
  • Atomic Density: 0.055056358820016894
  • Unit Cell Volume: 3196.724298011722
  • Molar Volume: 10.93813846223794
  • Full Formula: Cs4 Sb4 Te24 O24 F120
  • Reduced Formula: CsSbTe6(OF5)6
  • Formula Anonymous: ABC6D6E30
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -846.39798609
  • Final energy per atom: -4.809079466420455
  • 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.