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  1. Third-Parties
  2. MatprojStructure
  3. mp-560928

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-560928
  • 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: 128
  • Number of elements: 4
  • Element list: ['Sb', 'I', 'Br', 'F']
  • Chemical System: Br-F-I-Sb
  • Density: 3.5704538739512532
  • Atomic Density: 0.046539701864122644
  • Unit Cell Volume: 2750.3399221101354
  • Molar Volume: 12.939792303745836
  • Full Formula: Sb16 I8 Br16 F88
  • Reduced Formula: Sb2IBr2F11
  • Formula Anonymous: AB2C2D11
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -555.70947123
  • Final energy per atom: -4.341480243984375
  • 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.