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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247751

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-1247751
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 5
  • Element list: ['Be', 'Al', 'B', 'O', 'F']
  • Chemical System: Al-B-Be-F-O
  • Density: 0.23969680240187008
  • Atomic Density: 0.00869572802230117
  • Unit Cell Volume: 919.9919753105321
  • Molar Volume: 69.25401466738086
  • Full Formula: Be1 Al1 B1 O3 F2
  • Reduced Formula: BeAlBO3F2
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -58.15031285
  • Final energy per atom: -7.26878910625
  • 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.