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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195799

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-1195799
  • 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: 39
  • Number of elements: 4
  • Element list: ['K', 'Fe', 'B', 'O']
  • Chemical System: B-Fe-K-O
  • Density: 2.722975018084336
  • Atomic Density: 0.06589579772545456
  • Unit Cell Volume: 591.8435066601354
  • Molar Volume: 9.138884371793162
  • Full Formula: K6 Fe6 B6 O21
  • Reduced Formula: K2Fe2B2O7
  • Formula Anonymous: A2B2C2D7
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -289.67869931
  • Final energy per atom: -7.427658956666667
  • 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.