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  1. Third-Parties
  2. MatprojStructure
  3. mp-581165

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-581165
  • 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: 140
  • Number of elements: 4
  • Element list: ['Cs', 'Xe', 'Br', 'F']
  • Chemical System: Br-Cs-F-Xe
  • Density: 3.169709164022008
  • Atomic Density: 0.053504323634540905
  • Unit Cell Volume: 2616.6109669241737
  • Molar Volume: 11.255428254983627
  • Full Formula: Cs8 Xe4 Br16 F112
  • Reduced Formula: Cs2Xe(BrF7)4
  • Formula Anonymous: AB2C4D28
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -453.3908964900001
  • Final energy per atom: -3.2385064035000006
  • 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.