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  1. Third-Parties
  2. MatprojStructure
  3. mp-30936

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-30936
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 2
  • Element list: ['B', 'F']
  • Chemical System: B-F
  • Density: 1.84765691917186
  • Atomic Density: 0.07283468427930044
  • Unit Cell Volume: 604.1077878675553
  • Molar Volume: 8.268232119887815
  • Full Formula: B20 F24
  • Reduced Formula: B5F6
  • Formula Anonymous: A5B6
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -271.62614461000004
  • Final energy per atom: -6.173321468409092
  • 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.