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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147533

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-1147533
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Bi', 'B', 'O', 'F']
  • Chemical System: B-Bi-F-O
  • Density: 5.883230473425153
  • Atomic Density: 0.07954454557233082
  • Unit Cell Volume: 176.00201119094496
  • Molar Volume: 7.570777753106897
  • Full Formula: Bi2 B2 O2 F8
  • Reduced Formula: BiBOF4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 39
  • Spacegroup Symbol: Aem2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -84.35050175
  • Final energy per atom: -6.025035839285715
  • 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.