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  1. Third-Parties
  2. MatprojStructure
  3. mp-555132

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-555132
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Bi', 'Xe', 'F']
  • Chemical System: Bi-F-Xe
  • Density: 4.266469076289162
  • Atomic Density: 0.055280402840540546
  • Unit Cell Volume: 397.9710506716141
  • Molar Volume: 10.893807661588873
  • Full Formula: Bi2 Xe2 F18
  • Reduced Formula: BiXeF9
  • Formula Anonymous: ABC9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -76.39609801
  • Final energy per atom: -3.472549909545455
  • 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.