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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105991

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-1105991
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['K', 'Pb', 'Br', 'O']
  • Chemical System: Br-K-O-Pb
  • Density: 3.889419578715198
  • Atomic Density: 0.03017350026835833
  • Unit Cell Volume: 530.2666199711182
  • Molar Volume: 19.958376411221884
  • Full Formula: K4 Pb2 Br8 O2
  • Reduced Formula: K2PbBr4O
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -56.09195058
  • Final energy per atom: -3.50574691125
  • 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.