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  1. Third-Parties
  2. MatprojStructure
  3. mp-555234

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-555234
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Rb', 'Sb', 'Br', 'F']
  • Chemical System: Br-F-Rb-Sb
  • Density: 3.974888666032853
  • Atomic Density: 0.041735763353666216
  • Unit Cell Volume: 287.52319439596107
  • Molar Volume: 14.429209570144339
  • Full Formula: Rb2 Sb2 Br2 F6
  • Reduced Formula: RbSbBrF3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -55.1122997
  • Final energy per atom: -4.592691641666667
  • 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.