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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198168

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-1198168
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['Fe', 'B', 'O']
  • Chemical System: B-Fe-O
  • Density: 2.813809026391377
  • Atomic Density: 0.07774479678397711
  • Unit Cell Volume: 746.0306335504316
  • Molar Volume: 7.746037045711512
  • Full Formula: Fe10 B12 O36
  • Reduced Formula: Fe5(BO3)6
  • Formula Anonymous: A5B6C18
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -462.9414454
  • Final energy per atom: -7.98174905862069
  • 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.