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  1. Third-Parties
  2. MatprojStructure
  3. mp-677193

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-677193
  • 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: 24
  • Number of elements: 5
  • Element list: ['Mg', 'B', 'H', 'O', 'F']
  • Chemical System: B-F-H-Mg-O
  • Density: 2.7308700535854156
  • Atomic Density: 0.10682640935780564
  • Unit Cell Volume: 224.66354662931818
  • Molar Volume: 5.637314589344074
  • Full Formula: Mg6 B2 H4 O10 F2
  • Reduced Formula: Mg3BH2O5F
  • Formula Anonymous: ABC2D3E5
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -154.9846577
  • Final energy per atom: -6.457694070833334
  • 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.