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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224214

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-1224214
  • 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: 15
  • Number of elements: 4
  • Element list: ['K', 'Pb', 'Br', 'O']
  • Chemical System: Br-K-O-Pb
  • Density: 3.8502475767093043
  • Atomic Density: 0.028368190421063123
  • Unit Cell Volume: 528.761256088532
  • Molar Volume: 21.228498083996982
  • Full Formula: K4 Pb2 Br8 O1
  • Reduced Formula: K4Pb2Br8O
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -52.48685614
  • Final energy per atom: -3.499123742666667
  • 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.