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  1. Third-Parties
  2. MatprojStructure
  3. mp-707009

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-707009
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['B', 'H', 'O', 'F']
  • Chemical System: B-F-H-O
  • Density: 1.7947083755543893
  • Atomic Density: 0.08815496631897356
  • Unit Cell Volume: 317.62249104249923
  • Molar Volume: 6.83131196285632
  • Full Formula: B4 H8 O4 F12
  • Reduced Formula: BH2OF3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -163.49654308
  • Final energy per atom: -5.839162252857143
  • 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.