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  1. Third-Parties
  2. MatprojStructure
  3. mp-560789

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-560789
  • 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: 40
  • Number of elements: 4
  • Element list: ['Sb', 'I', 'Cl', 'F']
  • Chemical System: Cl-F-I-Sb
  • Density: 3.2405267352289453
  • Atomic Density: 0.04501076695096854
  • Unit Cell Volume: 888.676259250883
  • Molar Volume: 13.379333808197673
  • Full Formula: Sb4 I4 Cl8 F24
  • Reduced Formula: SbI(ClF3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -163.90802519
  • Final energy per atom: -4.097700629749999
  • 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.