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  1. Third-Parties
  2. MatprojStructure
  3. mp-557606

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-557606
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Sb', 'As', 'Se', 'F']
  • Chemical System: As-F-Sb-Se
  • Density: 3.7196882469149
  • Atomic Density: 0.040394757353326254
  • Unit Cell Volume: 693.1592571552947
  • Molar Volume: 14.908223627450791
  • Full Formula: Sb2 As6 Se8 F12
  • Reduced Formula: SbAs3(Se2F3)2
  • Formula Anonymous: AB3C4D6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -131.62589306
  • Final energy per atom: -4.700924752142858
  • 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.