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  1. Third-Parties
  2. MatprojStructure
  3. mp-4674

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-4674
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['B', 'N', 'F']
  • Chemical System: B-F-N
  • Density: 2.2264899200854646
  • Atomic Density: 0.07583632446102746
  • Unit Cell Volume: 527.4517229610216
  • Molar Volume: 7.9409712994394885
  • Full Formula: B4 N4 F32
  • Reduced Formula: BNF8
  • Formula Anonymous: ABC8
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -191.42169952
  • Final energy per atom: -4.785542488
  • 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.