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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212099

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-1212099
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['K', 'La', 'Ta', 'Br', 'O']
  • Chemical System: Br-K-La-O-Ta
  • Density: 5.871127063407028
  • Atomic Density: 0.0374461437167847
  • Unit Cell Volume: 1442.0710556584033
  • Molar Volume: 16.082138672401296
  • Full Formula: K4 La2 Ta12 Br30 O6
  • Reduced Formula: K2LaTa6(Br5O)3
  • Formula Anonymous: AB2C3D6E15
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -335.52652559
  • Final energy per atom: -6.213454177592593
  • 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.